CID 308071

14741-71-0

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CCOC(=O)CC1=NC2=CC=CC=C2N1

InChI

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

InChIKey

JTVPWPDLKUQDAU-UHFFFAOYSA-N

Compound name

ethyl 2-(1H-benzimidazol-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 219
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	143.7
[M+Na]+	227.07909	156.3
[M+NH4]+	222.12369	151.1
[M+K]+	243.05303	152.0
[M-H]-	203.08259	143.8
[M+Na-2H]-	225.06454	149.3
[M]+	204.08932	145.3
[M]-	204.09042	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe