CID 6465

Piperidione

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CCC1(C(=O)CCNC1=O)CC

InChI

InChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)

InChIKey

RGEVWUKXWFOAID-UHFFFAOYSA-N

Compound name

3,3-diethylpiperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3
References: 676
Patents: 169.11028 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]+	170.11756	136.3
[M+Na]+	192.09950	143.5
[M-H]-	168.10300	137.0
[M+NH4]+	187.14410	157.0
[M+K]+	208.07344	141.5
[M+H-H2O]+	152.10754	131.3
[M+HCOO]-	214.10848	154.5
[M+CH3COO]-	228.12413	176.5
[M+Na-2H]-	190.08495	140.9
[M]+	169.10973	133.1
[M]-	169.11083	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe