CID 719681

1015533-35-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CC1=NC2=CC=CC=C2N1CC(=O)O

InChI

InChI=1S/C10H10N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)

InChIKey

SMGBDFGKVGSCGB-UHFFFAOYSA-N

Compound name

2-(2-methylbenzimidazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 190.07423 Da
Monoisotopic Mass: 1.5
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	138.9
[M+Na]+	213.06345	152.0
[M+NH4]+	208.10805	146.4
[M+K]+	229.03739	148.2
[M-H]-	189.06695	139.1
[M+Na-2H]-	211.04890	144.5
[M]+	190.07368	140.6
[M]-	190.07478	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe