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

25
Patents

216.09978 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10706 145.7
[M+Na]+ 239.08900 151.0
[M-H]- 215.09250 147.5
[M+NH4]+ 234.13360 163.5
[M+K]+ 255.06294 151.1
[M+H-H2O]+ 199.09704 140.3
[M+HCOO]- 261.09798 163.6
[M+CH3COO]- 275.11363 184.3
[M+Na-2H]- 237.07445 146.4
[M]+ 216.09923 145.1
[M]- 216.10033 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