CID 2735857

1h-imidazole-1-carbonitrile

Structural Information

Molecular Formula

C₄H₃N₃

SMILES

C1=CN(C=N1)C#N

InChI

InChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H

InChIKey

SLPWXZZHNSOZPX-UHFFFAOYSA-N

Compound name

imidazole-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 848
Patents: 93.0327 Da
Monoisotopic Mass: 0.2
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]+	94.039976	112.4
[M+Na]+	116.02192	123.1
[M-H]-	92.025424	112.8
[M+NH4]+	111.06652	132.3
[M+K]+	131.99586	121.9
[M+H-H2O]+	76.029960	98.6
[M+HCOO]-	138.03090	132.7
[M+CH3COO]-	152.04655	177.2
[M+Na-2H]-	114.00737	120.4
[M]+	93.032151	106.9
[M]-	93.033249	106.9

Literature stripe

literature stripe

Patent stripe

patents stripe