CID 12239847

58192-81-7

Structural Information

Molecular Formula

C₆H₈N₄

SMILES

CC1=NC(=C(N1C)C#N)N

InChI

InChI=1S/C6H8N4/c1-4-9-6(8)5(3-7)10(4)2/h8H2,1-2H3

InChIKey

ZERGZZIIWKDORY-UHFFFAOYSA-N

Compound name

5-amino-2,3-dimethylimidazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 136.07489 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.08217	125.3
[M+Na]+	159.06411	136.7
[M-H]-	135.06761	126.1
[M+NH4]+	154.10871	143.9
[M+K]+	175.03805	135.1
[M+H-H2O]+	119.07215	111.8
[M+HCOO]-	181.07309	145.4
[M+CH3COO]-	195.08874	189.3
[M+Na-2H]-	157.04956	129.6
[M]+	136.07434	119.9
[M]-	136.07544	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe