CID 95858

3-methylglutarimide

Structural Information

Molecular Formula

SMILES

CC1CC(=O)NC(=O)C1

InChI

InChI=1S/C6H9NO2/c1-4-2-5(8)7-6(9)3-4/h4H,2-3H2,1H3,(H,7,8,9)

InChIKey

OTQNZVVDFWNHDO-UHFFFAOYSA-N

Compound name

4-methylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 168
Patents: 127.06333 Da
Monoisotopic Mass: -0.2
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]+	128.07061	125.2
[M+Na]+	150.05255	136.2
[M+NH4]+	145.09715	132.9
[M+K]+	166.02649	131.1
[M-H]-	126.05605	125.4
[M+Na-2H]-	148.03800	129.4
[M]+	127.06278	126.5
[M]-	127.06388	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe