CID 58237130

1,3-dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate

Structural Information

Molecular Formula
C10H16O5
SMILES
COC(=O)C1CC(CC(C1)O)C(=O)OC
InChI
InChI=1S/C10H16O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h6-8,11H,3-5H2,1-2H3
InChIKey
WINOVBXKECSWMZ-UHFFFAOYSA-N
Compound name
dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

216.09978 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.107056 145.7
[M+Na]+ 239.088998 151.0
[M-H]- 215.092504 147.5
[M+NH4]+ 234.133603 163.5
[M+K]+ 255.062938 151.1
[M+H-H2O]+ 199.097040 140.3
[M+HCOO]- 261.097981 163.6
[M+CH3COO]- 275.113631 184.3
[M+Na-2H]- 237.074446 146.4
[M]+ 216.09923142 145.1
[M]- 216.10032858 145.1
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