CID 58237130

113474-25-2

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.10706	146.8
[M+Na]+	239.08900	155.0
[M+NH4]+	234.13360	152.6
[M+K]+	255.06294	152.2
[M-H]-	215.09250	145.6
[M+Na-2H]-	237.07445	148.3
[M]+	216.09923	147.1
[M]-	216.10033	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe