CID 241176

Nsc123303

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1CCCC(C1=O)C(=O)CC2CC(=O)NC(=O)C2
InChI
InChI=1S/C14H19NO4/c1-8-3-2-4-10(14(8)19)11(16)5-9-6-12(17)15-13(18)7-9/h8-10H,2-7H2,1H3,(H,15,17,18)
InChIKey
WPKVQFQGIZDUHC-UHFFFAOYSA-N
Compound name
4-[2-(3-methyl-2-oxocyclohexyl)-2-oxoethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.2
[M+Na]+ 288.12062 164.5
[M-H]- 264.12412 163.0
[M+NH4]+ 283.16522 174.3
[M+K]+ 304.09456 161.3
[M+H-H2O]+ 248.12866 153.0
[M+HCOO]- 310.12960 173.6
[M+CH3COO]- 324.14525 195.3
[M+Na-2H]- 286.10607 158.2
[M]+ 265.13085 153.3
[M]- 265.13195 153.3
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.