CID 76980

1-(2-hydroxyethyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CC(=O)N(C1)CCO

InChI

InChI=1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2

InChIKey

WDQFELCEOPFLCZ-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 23261
Patents: 129.07898 Da
Monoisotopic Mass: -0.8
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]+	130.08626	126.1
[M+Na]+	152.06820	133.3
[M-H]-	128.07170	126.7
[M+NH4]+	147.11280	147.9
[M+K]+	168.04214	132.3
[M+H-H2O]+	112.07624	120.6
[M+HCOO]-	174.07718	147.2
[M+CH3COO]-	188.09283	167.3
[M+Na-2H]-	150.05365	130.3
[M]+	129.07843	123.9
[M]-	129.07953	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe