CID 10845408

104189-85-7

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

C1=CC=C2C(=C1)NC(=O)N2CC(=O)O

InChI

InChI=1S/C9H8N2O3/c12-8(13)5-11-7-4-2-1-3-6(7)10-9(11)14/h1-4H,5H2,(H,10,14)(H,12,13)

InChIKey

XGCKXFIEBXHNRH-UHFFFAOYSA-N

Compound name

2-(2-oxo-3H-benzimidazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
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	150.1
[M+NH4]+	210.08732	144.3
[M+K]+	231.01666	147.3
[M-H]-	191.04622	136.7
[M+Na-2H]-	213.02817	142.4
[M]+	192.05295	138.9
[M]-	192.05405	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe