CID 225079

Dimethyl 4-oxocyclohexane-1,3-dicarboxylate

Structural Information

Molecular Formula
C10H14O5
SMILES
COC(=O)C1CCC(=O)C(C1)C(=O)OC
InChI
InChI=1S/C10H14O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h6-7H,3-5H2,1-2H3
InChIKey
UIRWIOJXMVHYNA-UHFFFAOYSA-N
Compound name
dimethyl 4-oxocyclohexane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
Patents

214.08412 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 145.4
[M+Na]+ 237.07334 154.3
[M+NH4]+ 232.11794 151.4
[M+K]+ 253.04728 151.0
[M-H]- 213.07684 144.6
[M+Na-2H]- 235.05879 147.5
[M]+ 214.08357 145.9
[M]- 214.08467 145.9
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