CID 768518

247128-20-7

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

C1=CC2=C(C=C1C(=O)O)NC(=N2)CO

InChI

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

InChIKey

LIBZUTVUUNNXNP-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 5
Patents: 192.0535 Da
Monoisotopic Mass: 0.6
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	138.6
[M+Na]+	215.04272	150.3
[M+NH4]+	210.08732	145.0
[M+K]+	231.01666	147.9
[M-H]-	191.04622	137.2
[M+Na-2H]-	213.02817	142.7
[M]+	192.05295	139.5
[M]-	192.05405	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe