CID 324232

4-(prop-2-enamido)butanoic acid

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C=CC(=O)NCCCC(=O)O

InChI

InChI=1S/C7H11NO3/c1-2-6(9)8-5-3-4-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)

InChIKey

YRXLABUVDQYDHV-UHFFFAOYSA-N

Compound name

4-(prop-2-enoylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 544
Patents: 157.0739 Da
Monoisotopic Mass: 0.0
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]+	158.08118	133.6
[M+Na]+	180.06312	139.6
[M-H]-	156.06662	132.4
[M+NH4]+	175.10772	153.4
[M+K]+	196.03706	138.6
[M+H-H2O]+	140.07116	128.6
[M+HCOO]-	202.07210	155.9
[M+CH3COO]-	216.08775	176.7
[M+Na-2H]-	178.04857	137.3
[M]+	157.07335	133.4
[M]-	157.07445	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe