CID 104455685

4-(cyclohexyloxy)cyclohexan-1-one

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

C1CCC(CC1)OC2CCC(=O)CC2

InChI

InChI=1S/C12H20O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h11-12H,1-9H2

InChIKey

DFVLNTSALHEZOQ-UHFFFAOYSA-N

Compound name

4-cyclohexyloxycyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 196.14633 Da
Monoisotopic Mass: 2.1
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	157.3
[M+NH4]+	214.18015	156.3
[M+K]+	235.10949	150.3
[M-H]-	195.13905	150.9
[M+Na-2H]-	217.12100	152.5
[M]+	196.14578	149.3
[M]-	196.14688	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe