CID 45078627

6595-00-2

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CC1=NC2=C(N1C)C=C(C=C2)C(=O)O

InChI

InChI=1S/C10H10N2O2/c1-6-11-8-4-3-7(10(13)14)5-9(8)12(6)2/h3-5H,1-2H3,(H,13,14)

InChIKey

PAHCNWPMLGFQKJ-UHFFFAOYSA-N

Compound name

2,3-dimethylbenzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 190.07423 Da
Monoisotopic Mass: 1.4
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]+	191.08151	138.8
[M+Na]+	213.06345	152.4
[M+NH4]+	208.10805	146.4
[M+K]+	229.03739	148.8
[M-H]-	189.06695	139.1
[M+Na-2H]-	211.04890	144.2
[M]+	190.07368	140.7
[M]-	190.07478	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe