CID 45792212

66155-91-7

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCOC(=O)C(=O)C1=NC2=CC=CC=C2N1C

InChI

InChI=1S/C12H12N2O3/c1-3-17-12(16)10(15)11-13-8-6-4-5-7-9(8)14(11)2/h4-7H,3H2,1-2H3

InChIKey

AMIFGCQYKGXJLU-UHFFFAOYSA-N

Compound name

ethyl 2-(1-methylbenzimidazol-2-yl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.0848 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]+	233.09208	149.7
[M+Na]+	255.07402	162.1
[M+NH4]+	250.11862	156.3
[M+K]+	271.04796	158.9
[M-H]-	231.07752	149.4
[M+Na-2H]-	253.05947	154.5
[M]+	232.08425	151.1
[M]-	232.08535	151.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.