CID 71651

Betamipron

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1=CC=C(C=C1)C(=O)NCCC(=O)O

InChI

InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

InChIKey

CWXYHOHYCJXYFQ-UHFFFAOYSA-N

Compound name

3-benzamidopropanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 66
References: 2379
Patents: 193.0739 Da
Monoisotopic Mass: 0.5
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	141.0
[M+Na]+	216.06312	146.6
[M-H]-	192.06662	143.0
[M+NH4]+	211.10772	159.0
[M+K]+	232.03706	144.9
[M+H-H2O]+	176.07116	134.7
[M+HCOO]-	238.07210	163.8
[M+CH3COO]-	252.08775	182.0
[M+Na-2H]-	214.04857	145.9
[M]+	193.07335	140.1
[M]-	193.07445	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe