CID 65918142

1244028-15-6

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

C1CCC(CC1)C2(CCC(=O)CC2)O

InChI

InChI=1S/C12H20O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h10,14H,1-9H2

InChIKey

AWEPRQGRKRQWGM-UHFFFAOYSA-N

Compound name

4-cyclohexyl-4-hydroxycyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 196.14633 Da
Monoisotopic Mass: 2.0
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]+	197.15361	147.0
[M+Na]+	219.13555	150.0
[M-H]-	195.13905	150.9
[M+NH4]+	214.18015	167.0
[M+K]+	235.10949	147.7
[M+H-H2O]+	179.14359	141.1
[M+HCOO]-	241.14453	162.5
[M+CH3COO]-	255.16018	179.5
[M+Na-2H]-	217.12100	149.9
[M]+	196.14578	137.8
[M]-	196.14688	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe