CID 424323

500872-62-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC1=CC2=C(C=C1C)N(C=N2)CC(=O)O

InChI

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

InChIKey

FSWUHNJXLGYKCJ-UHFFFAOYSA-N

Compound name

2-(5,6-dimethylbenzimidazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 204.08987 Da
Monoisotopic Mass: 1.9
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]+	205.09715	142.9
[M+Na]+	227.07909	154.1
[M-H]-	203.08259	144.6
[M+NH4]+	222.12369	162.2
[M+K]+	243.05303	150.7
[M+H-H2O]+	187.08713	136.4
[M+HCOO]-	249.08807	164.4
[M+CH3COO]-	263.10372	184.8
[M+Na-2H]-	225.06454	147.8
[M]+	204.08932	146.4
[M]-	204.09042	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe