CID 21914263

59887-20-6

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CN1CC(CC1=O)CO

InChI

InChI=1S/C6H11NO2/c1-7-3-5(4-8)2-6(7)9/h5,8H,2-4H2,1H3

InChIKey

AEJLDXOAORTQER-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-1-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 83
Patents: 129.07898 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]+	130.08626	125.5
[M+Na]+	152.06820	133.7
[M-H]-	128.07170	126.5
[M+NH4]+	147.11280	147.6
[M+K]+	168.04214	132.6
[M+H-H2O]+	112.07624	120.3
[M+HCOO]-	174.07718	146.6
[M+CH3COO]-	188.09283	168.5
[M+Na-2H]-	150.05365	129.1
[M]+	129.07843	123.6
[M]-	129.07953	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe