CID 29128

2-benzimidazolecarbamic acid

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1=CC=C2C(=C1)NC(=N2)NC(=O)O

InChI

InChI=1S/C8H7N3O2/c12-8(13)11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,12,13)(H2,9,10,11)

InChIKey

WEYSQARHSRZNTC-UHFFFAOYSA-N

Compound name

1H-benzimidazol-2-ylcarbamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2218
Patents: 177.05383 Da
Monoisotopic Mass: 1.2
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]+	178.061106	133.0
[M+Na]+	200.043048	142.4
[M-H]-	176.046554	133.1
[M+NH4]+	195.087653	151.7
[M+K]+	216.016988	138.8
[M+H-H2O]+	160.051090	126.3
[M+HCOO]-	222.052031	155.1
[M+CH3COO]-	236.067681	175.2
[M+Na-2H]-	198.028496	141.1
[M]+	177.05328142	132.0
[M]-	177.05437858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe