5-Amino-1H-imidazol-4-carbonitrile(5098-11-3) IR2
Product Name5-Amino-1H-imidazol-4-carbonitrile
CAS5098-11-3
Molecular FormulaC4H4N4
Molecular Weight108.1
InChIInChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)
InChIKey XEPBRDBFOSKYCF-UHFFFAOYSA-N
SmilesC1NC(N)=C(C#N)N=1
-
MassMS2005-02663WA 4(5)-amino-1H-imidazole-5(4)-carbonitrile C4H4N4 (Mass of molecular ion: 108)
Source Temperature: 245 °C Sample Temperature: 20 °C Direct, 70 eV
27.0 3.7 28.0 22.3 29.0 1.3 38.0 3.3 39.0 1.8 43.0 3.2 53.0 16.7 54.0 34.4 55.0 1.9 64.0 1.0 65.0 1.3 66.0 2.4 80.0 1.3 81.0 33.2 82.0 1.5 108.0 100.0 109.0 6.0
in DMSO-d6
in DMSO-d6
KBr disk
Nujol
