CID 78777

5098-11-3

Structural Information

Molecular Formula

C₄H₄N₄

SMILES

C1=NC(=C(N1)C#N)N

InChI

InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)

InChIKey

XEPBRDBFOSKYCF-UHFFFAOYSA-N

Compound name

4-amino-1H-imidazole-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 291
Patents: 108.043594 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]+	109.05087	122.0
[M+Na]+	131.03281	132.0
[M+NH4]+	126.07742	126.1
[M+K]+	147.00675	126.0
[M-H]-	107.03632	115.0
[M+Na-2H]-	129.01826	124.9
[M]+	108.04305	120.3
[M]-	108.04414	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe