CID 14566

Methyl 2-benzamidoacetate

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)

InChIKey

XTKVNQKOTKPCKM-UHFFFAOYSA-N

Compound name

methyl 2-benzamidoacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 95
Patents: 193.0739 Da
Monoisotopic Mass: 0.8
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]+	194.08118	141.5
[M+Na]+	216.06312	152.0
[M+NH4]+	211.10772	148.6
[M+K]+	232.03706	147.1
[M-H]-	192.06662	142.7
[M+Na-2H]-	214.04857	147.4
[M]+	193.07335	143.0
[M]-	193.07445	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe