CID 3159719

(5,7-dimethyl-1h-benzoimidazol-2-yl)-acetic acid

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC1=CC(=C2C(=C1)NC(=N2)CC(=O)O)C

InChI

InChI=1S/C11H12N2O2/c1-6-3-7(2)11-8(4-6)12-9(13-11)5-10(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)

InChIKey

IHVAWDKGYTYBBR-UHFFFAOYSA-N

Compound name

2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 204.08987 Da
Monoisotopic Mass: 1.7
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]+	205.09715	143.9
[M+Na]+	227.07909	156.7
[M+NH4]+	222.12369	151.0
[M+K]+	243.05303	153.2
[M-H]-	203.08259	143.7
[M+Na-2H]-	225.06454	148.4
[M]+	204.08932	145.5
[M]-	204.09042	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe