CID 152807

4-hydroxy-2-pyrrolidone

Structural Information

Molecular Formula

SMILES

C1C(CNC1=O)O

InChI

InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)

InChIKey

IOGISYQVOGVIEU-UHFFFAOYSA-N

Compound name

4-hydroxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1312
Patents: 101.047676 Da
Monoisotopic Mass: -1.4
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]+	102.05495	117.9
[M+Na]+	124.03689	125.6
[M-H]-	100.04040	117.5
[M+NH4]+	119.08150	140.1
[M+K]+	140.01083	124.1
[M+H-H2O]+	84.044936	113.0
[M+HCOO]-	146.04588	138.2
[M+CH3COO]-	160.06153	158.6
[M+Na-2H]-	122.02234	122.7
[M]+	101.04713	113.0
[M]-	101.04822	113.0

Literature stripe

literature stripe

Patent stripe

patents stripe