CID 233486

N-benzoyl-beta-alanine methyl ester

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

COC(=O)CCNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H13NO3/c1-15-10(13)7-8-12-11(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)

InChIKey

RZZNKCALONWEAZ-UHFFFAOYSA-N

Compound name

methyl 3-benzamidopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 207.08954 Da
Monoisotopic Mass: 1.0
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]+	208.09682	146.0
[M+Na]+	230.07876	156.3
[M+NH4]+	225.12336	152.9
[M+K]+	246.05270	151.1
[M-H]-	206.08226	147.1
[M+Na-2H]-	228.06421	151.6
[M]+	207.08899	147.4
[M]-	207.09009	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe