CID 2771758

46006-36-4

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC(=C2C(=C1)NC=N2)C(=O)O

InChI

InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)

InChIKey

VVQNAFBGAWCMLU-UHFFFAOYSA-N

Compound name

1H-benzimidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1362
Patents: 162.04292 Da
Monoisotopic Mass: 1.0
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]+	163.05020	130.4
[M+Na]+	185.03214	143.0
[M+NH4]+	180.07674	137.9
[M+K]+	201.00608	139.8
[M-H]-	161.03564	130.1
[M+Na-2H]-	183.01759	136.2
[M]+	162.04237	131.9
[M]-	162.04347	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe