CID 67151273

863564-77-6

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

CN1C2=C(C=CC(=C2)C(=O)O)NC1=O

InChI

InChI=1S/C9H8N2O3/c1-11-7-4-5(8(12)13)2-3-6(7)10-9(11)14/h2-4H,1H3,(H,10,14)(H,12,13)

InChIKey

QNGRDARNLFTZBH-UHFFFAOYSA-N

Compound name

3-methyl-2-oxo-1H-benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 192.0535 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]+	193.06078	137.8
[M+Na]+	215.04272	150.4
[M+NH4]+	210.08732	144.2
[M+K]+	231.01666	147.9
[M-H]-	191.04622	136.8
[M+Na-2H]-	213.02817	142.1
[M]+	192.05295	139.0
[M]-	192.05405	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe