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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.3
[M+Na]+ 274.10497 160.1
[M-H]- 250.10847 158.9
[M+NH4]+ 269.14957 170.7
[M+K]+ 290.07891 157.1
[M+H-H2O]+ 234.11301 148.9
[M+HCOO]- 296.11395 170.0
[M+CH3COO]- 310.12960 191.0
[M+Na-2H]- 272.09042 155.4
[M]+ 251.11520 148.7
[M]- 251.11630 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.