33483-65-7

反式-4-甲基环己胺盐酸盐(33483-65-7)质谱(MS)

产品名称:反式-4-甲基环己胺盐酸盐

CAS:33483-65-7

分子式:C7H16ClN

分子量: 149.66

InChI:InChI=1/C7H15N.ClH/c1-6-2-4-7(8)5-3-6;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;

InChIKey: GIRKJSRZELQHDX-MEZFUOHNNA-N

Smiles:N[C@@H]1CC[C@@H](C)CC1.[H]Cl |&1:1,4,r|

Mass

MS-IW-0799          
trans-4-methylcyclohexylamine hydrochloride
C7H15N HCl          (Mass of molecular ion:    113)

   Source Temperature: 110 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      28.0       2.1
      30.0       1.9
      36.0       9.5
      38.0       3.4
      39.0       1.1
      41.0       2.4
      42.0       1.6
      43.0      10.4
      55.0       1.5
      56.0     100.0
      57.0       4.8
      67.0       1.5
      81.0       3.0
      84.0       5.1
      95.0       1.7
      96.0       1.2
     112.0       1.1
     113.0      17.6
     114.0       2.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₅ N	0.036 g : 0.5 ml DMSO-d₆
trans-4-methylcyclohexylamine hydrochloride

    Assign.     Shift(ppm)

      A             8.27
      B             2.865
      C             1.953
      D             1.677
      E             1.35
      F             1.25
      G             0.928
      J             0.855

     Hz     ppm     Int.

   3304.75   8.270    392
   1157.07   2.896     69
   1153.11   2.886     46
   1149.29   2.876     78
   1145.32   2.866    143
   1141.36   2.856     80
   1137.54   2.847     49
   1133.58   2.837     76
    785.98   1.967    163
    780.94   1.955    103
    776.06   1.942    178
    677.95   1.697    190
    676.57   1.693    189
    670.78   1.679    105
    664.06   1.662    207
    560.76   1.404     82
    557.10   1.394     80
    547.94   1.372    172
    544.59   1.363    159
    535.58   1.341    171
    532.38   1.333    169
    523.07   1.309    101
    519.56   1.301    104
    514.68   1.288     73
    511.32   1.280     68
    508.12   1.272     74
    504.61   1.263     58
    503.39   1.260     57
    499.88   1.251     47
    496.52   1.243     42
    398.25   0.997     75
    395.05   0.989     81
    384.98   0.964    184
    382.08   0.957    169
    372.77   0.933    149
    370.18   0.927    160
    358.58   0.898    112
    357.51   0.895    113
    345.31   0.865   1000
    338.90   0.848    938

in DMSO-d6