AMINOMALONONITRILE P-TOLUENESULFONATE(5098-14-6) MS
Product NameAMINOMALONONITRILE P-TOLUENESULFONATE
CAS5098-14-6
Molecular FormulaC10H11N3O3S
Molecular Weight253.28
InChIInChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChIKey MEUWQVWJLLBVQI-UHFFFAOYSA-N
SmilesC1(S(=O)(=O)O)C=CC(C)=CC=1.C(N)(C#N)C#N
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MassMS-IW-0058 aminomalononitrile p-toluenesulfonate C3H3N3 C7H8O3S (Mass of molecular ion: 253)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.3 18.0 6.3 26.0 1.5 27.0 6.5 28.0 16.9 29.0 2.5 38.0 6.6 39.0 15.1 40.0 1.5 41.0 3.4 50.0 4.4 51.0 6.5 52.0 3.7 53.0 19.3 54.0 34.0 55.0 30.9 56.0 1.2 61.0 1.0 62.0 3.5 63.0 10.3 64.0 3.9 65.0 37.7 66.0 2.9 74.0 1.2 75.0 1.0 77.0 15.0 78.0 2.1 79.0 17.1 80.0 39.9 81.0 24.3 82.0 1.3 89.0 11.9 90.0 11.2 91.0 100.0 92.0 8.7 107.0 46.0 108.0 34.1 109.0 2.7 155.0 6.0 172.0 89.6 173.0 9.0 174.0 5.1
KBr disc
nujol mull
