CID 29128

N-(1h-1,3-benzodiazol-2-yl)carbamate

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: 2559
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]+	178.06111	134.0
[M+Na]+	200.04305	145.3
[M+NH4]+	195.08765	141.0
[M+K]+	216.01699	142.6
[M-H]-	176.04655	133.9
[M+Na-2H]-	198.02850	139.5
[M]+	177.05328	135.2
[M]-	177.05438	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe