CID 303583

31601-68-0

Structural Information

Molecular Formula

C₈H₁₁NO₄

SMILES

C1CC(=O)N(C1=O)CCCC(=O)O

InChI

InChI=1S/C8H11NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h1-5H2,(H,12,13)

InChIKey

SIILHQSLHMQZQO-UHFFFAOYSA-N

Compound name

4-(2,5-dioxopyrrolidin-1-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 114
Patents: 185.0688 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]+	186.07608	140.2
[M+Na]+	208.05802	148.2
[M+NH4]+	203.10262	145.6
[M+K]+	224.03196	146.6
[M-H]-	184.06152	137.9
[M+Na-2H]-	206.04347	141.3
[M]+	185.06825	140.0
[M]-	185.06935	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe