CID 359836

Nsc621403

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1CC(C(=O)C(C1)C(=O)CC2CC(=O)NC2=O)C
InChI
InChI=1S/C14H19NO4/c1-7-3-8(2)13(18)10(4-7)11(16)5-9-6-12(17)15-14(9)19/h7-10H,3-6H2,1-2H3,(H,15,17,19)
InChIKey
MYMAAUCVFMURGW-UHFFFAOYSA-N
Compound name
3-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-oxoethyl]pyrrolidine-2,5-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 160.0
[M+Na]+ 288.12062 166.1
[M-H]- 264.12412 163.6
[M+NH4]+ 283.16522 176.4
[M+K]+ 304.09456 162.8
[M+H-H2O]+ 248.12866 153.9
[M+HCOO]- 310.12960 175.5
[M+CH3COO]- 324.14525 195.9
[M+Na-2H]- 286.10607 156.0
[M]+ 265.13085 155.7
[M]- 265.13195 155.7
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.