CID 11963075

Schembl4338414

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1CCC(=O)N1CCO

InChI

InChI=1S/C7H13NO2/c1-6-2-3-7(10)8(6)4-5-9/h6,9H,2-5H2,1H3

InChIKey

RICCSSCVOVSLSB-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 143.09464 Da
Monoisotopic Mass: -0.5
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]+	144.10192	130.1
[M+Na]+	166.08386	137.9
[M-H]-	142.08736	131.0
[M+NH4]+	161.12846	151.7
[M+K]+	182.05780	136.6
[M+H-H2O]+	126.09190	124.8
[M+HCOO]-	188.09284	150.9
[M+CH3COO]-	202.10849	171.5
[M+Na-2H]-	164.06931	133.2
[M]+	143.09409	128.6
[M]-	143.09519	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe