CID 233061

4-[2-(3,5-dimethyl-2-oxo-cyclohexyl)-2-oxo-ethyl]piperidine-2,6-dione

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1CC(C(=O)C(C1)C(=O)CC2CC(=O)NC(=O)C2)C
InChI
InChI=1S/C15H21NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-11H,3-7H2,1-2H3,(H,16,18,19)
InChIKey
QDNWNZRKYJTRQO-UHFFFAOYSA-N
Compound name
4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-oxoethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 164.0
[M+Na]+ 302.13628 168.8
[M-H]- 278.13978 167.0
[M+NH4]+ 297.18088 177.9
[M+K]+ 318.11022 165.5
[M+H-H2O]+ 262.14432 156.9
[M+HCOO]- 324.14526 177.0
[M+CH3COO]- 338.16091 199.6
[M+Na-2H]- 300.12173 160.8
[M]+ 279.14651 157.9
[M]- 279.14761 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.