CID 533930

Piperidine-2,5-dione

Structural Information

Molecular Formula

SMILES

C1CC(=O)NCC1=O

InChI

InChI=1S/C5H7NO2/c7-4-1-2-5(8)6-3-4/h1-3H2,(H,6,8)

InChIKey

ICZVBOAABXHPSZ-UHFFFAOYSA-N

Compound name

piperidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 295
Patents: 113.047676 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]+	114.054952	119.9
[M+Na]+	136.036894	126.9
[M-H]-	112.040400	120.5
[M+NH4]+	131.081499	140.4
[M+K]+	152.010834	125.6
[M+H-H2O]+	96.044936	114.4
[M+HCOO]-	158.045877	139.4
[M+CH3COO]-	172.061527	163.6
[M+Na-2H]-	134.022342	126.1
[M]+	113.04712742	114.5
[M]-	113.04822458	114.5

Literature stripe

literature stripe

Patent stripe

patents stripe