CID 13782253

80269-67-6

Structural Information

Molecular Formula
C12H16O7
SMILES
COC(=O)C1CC(CCC1=O)(C(=O)OC)C(=O)OC
InChI
InChI=1S/C12H16O7/c1-17-9(14)7-6-12(10(15)18-2,11(16)19-3)5-4-8(7)13/h7H,4-6H2,1-3H3
InChIKey
VNMXZSWOKNCHAM-UHFFFAOYSA-N
Compound name
trimethyl 4-oxocyclohexane-1,1,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

272.0896 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09688 158.0
[M+Na]+ 295.07882 165.3
[M+NH4]+ 290.12342 163.5
[M+K]+ 311.05276 161.8
[M-H]- 271.08232 155.5
[M+Na-2H]- 293.06427 160.0
[M]+ 272.08905 157.8
[M]- 272.09015 157.8
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

patents stripe