CID 11051635

27700-58-9

Structural Information

Molecular Formula

C₅H₆N₄

SMILES

CN1C=NC(=C1N)C#N

InChI

InChI=1S/C5H6N4/c1-9-3-8-4(2-6)5(9)7/h3H,7H2,1H3

InChIKey

ASXOWXJOPXMTKT-UHFFFAOYSA-N

Compound name

5-amino-1-methylimidazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 81
Patents: 122.05925 Da
Monoisotopic Mass: 0.3
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]+	123.066526	121.4
[M+Na]+	145.048468	132.4
[M-H]-	121.051974	121.9
[M+NH4]+	140.093073	140.2
[M+K]+	161.022408	130.9
[M+H-H2O]+	105.056510	107.6
[M+HCOO]-	167.057451	141.7
[M+CH3COO]-	181.073101	185.5
[M+Na-2H]-	143.033916	126.8
[M]+	122.05870142	115.3
[M]-	122.05979858	115.3

Literature stripe

literature stripe

Patent stripe

patents stripe