CID 235202

4-[2-oxo-2-(2-oxocyclohexyl)ethyl]piperidine-2,6-dione

Structural Information

Molecular Formula

C₁₃H₁₇NO₄

SMILES

C1CCC(=O)C(C1)C(=O)CC2CC(=O)NC(=O)C2

InChI

InChI=1S/C13H17NO4/c15-10-4-2-1-3-9(10)11(16)5-8-6-12(17)14-13(18)7-8/h8-9H,1-7H2,(H,14,17,18)

InChIKey

UTWJPBYXJXWANT-UHFFFAOYSA-N

Compound name

4-[2-oxo-2-(2-oxocyclohexyl)ethyl]piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 251.11575 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]+	252.123026	156.3
[M+Na]+	274.104968	160.1
[M-H]-	250.108474	158.9
[M+NH4]+	269.149573	170.7
[M+K]+	290.078908	157.1
[M+H-H2O]+	234.113010	148.9
[M+HCOO]-	296.113951	170.0
[M+CH3COO]-	310.129601	191.0
[M+Na-2H]-	272.090416	155.4
[M]+	251.11520142	148.7
[M]-	251.11629858	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.