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

1
Patents

279.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 164.0
[M+Na]+ 302.136278 168.8
[M-H]- 278.139784 167.0
[M+NH4]+ 297.180883 177.9
[M+K]+ 318.110218 165.5
[M+H-H2O]+ 262.144320 156.9
[M+HCOO]- 324.145261 177.0
[M+CH3COO]- 338.160911 199.6
[M+Na-2H]- 300.121726 160.8
[M]+ 279.14651142 157.9
[M]- 279.14760858 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

patents stripe