CID 3146688

77191-38-9

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C1CC(=O)N(C1)CCC(=O)O

InChI

InChI=1S/C7H11NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-5H2,(H,10,11)

InChIKey

XOMYTIUVNSWEAI-UHFFFAOYSA-N

Compound name

3-(2-oxopyrrolidin-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 178
Patents: 157.0739 Da
Monoisotopic Mass: -0.7
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]+	158.081176	132.5
[M+Na]+	180.063118	139.3
[M-H]-	156.066624	133.1
[M+NH4]+	175.107723	153.0
[M+K]+	196.037058	138.3
[M+H-H2O]+	140.071160	126.8
[M+HCOO]-	202.072101	152.7
[M+CH3COO]-	216.087751	172.4
[M+Na-2H]-	178.048566	135.1
[M]+	157.07335142	130.8
[M]-	157.07444858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe