CID 20757

Dicyclohexyl ether

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

C1CCC(CC1)OC2CCCCC2

InChI

InChI=1S/C12H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey

OCDXZFSOHJRGIL-UHFFFAOYSA-N

Compound name

cyclohexyloxycyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4384
Patents: 182.16707 Da
Monoisotopic Mass: 3.7
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]+	183.17435	144.3
[M+Na]+	205.15629	145.4
[M-H]-	181.15979	148.7
[M+NH4]+	200.20089	163.2
[M+K]+	221.13023	143.9
[M+H-H2O]+	165.16433	137.2
[M+HCOO]-	227.16527	160.9
[M+CH3COO]-	241.18092	180.3
[M+Na-2H]-	203.14174	147.2
[M]+	182.16652	135.4
[M]-	182.16762	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe