CID 45120798

863216-51-7

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1=C(C(=CC2=C1NC=N2)N)C(=O)O

InChI

InChI=1S/C8H7N3O2/c9-5-2-7-6(10-3-11-7)1-4(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)

InChIKey

ARUKNYKTXCZOHF-UHFFFAOYSA-N

Compound name

6-amino-3H-benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.05383 Da
Monoisotopic Mass: 0.9
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	140.8
[M+K]+	216.01699	143.1
[M-H]-	176.04655	133.8
[M+Na-2H]-	198.02850	138.7
[M]+	177.05328	135.1
[M]-	177.05438	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe