71-30-7

Cytosine(71-30-7) MS

Product NameCytosine

CAS 71-30-7

Molecular FormulaC4H5N3O

Molecular Weight111.1

InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

InChIKey OPTASPLRGRRNAP-UHFFFAOYSA-N

SmilesC1(=O)NC(N)=CC=N1

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Cytosine(71-30-7) MS
Mass

MS-NW-8151          
cytosine
C4H5N3O             (Mass of molecular ion:    111)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       3.4
      26.0       1.2
      27.0       1.6
      28.0      14.2
      29.0       2.4
      38.0       1.4
      39.0       2.8
      40.0      11.3
      41.0      19.0
      42.0      12.4
      43.0       6.6
      44.0       3.3
      52.0       2.2
      53.0       1.1
      55.0       2.6
      56.0       2.8
      66.0       4.0
      67.0      15.7
      68.0      18.2
      69.0      22.7
      70.0       1.0
      83.0      14.4
      84.0       1.7
      95.0       4.7
     110.0       1.8
     111.0     100.0
     112.0       8.0

400 MHz in D2O

Cytosine(71-30-7) MS

¹H NMR	399.65 MHz
C₄ H₅ N₃ O	saturated in D₂O
cytosine

    Assign.     Shift(ppm)

      A             7.498
      B             5.970
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   3000.37   7.508    975
   2993.16   7.490   1000
   2389.77   5.980    634
   2382.57   5.962    617

in D2O

in DMSO-d6

KBr disc

nujol mull

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