CID 171417

55175-50-3

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CCOC(=O)CN1C=NC2=CC=CC=C21

InChI

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

InChIKey

QQNQPNGPSKOQAD-UHFFFAOYSA-N

Compound name

ethyl 2-(benzimidazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 204.08987 Da
Monoisotopic Mass: 1.8
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	152.8
[M-H]-	203.08259	145.3
[M+NH4]+	222.12369	162.4
[M+K]+	243.05303	150.3
[M+H-H2O]+	187.08713	135.5
[M+HCOO]-	249.08807	166.0
[M+CH3COO]-	263.10372	184.3
[M+Na-2H]-	225.06454	149.7
[M]+	204.08932	147.4
[M]-	204.09042	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe