CID 249823

1453-21-0

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

C1CCC(CC1)OCOC2CCCCC2

InChI

InChI=1S/C13H24O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-11H2

InChIKey

GZYYOTJXMDCAJN-UHFFFAOYSA-N

Compound name

cyclohexyloxymethoxycyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 984
Patents: 212.17763 Da
Monoisotopic Mass: 3.6
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]+	213.184906	151.9
[M+Na]+	235.166848	152.5
[M-H]-	211.170354	156.0
[M+NH4]+	230.211453	169.5
[M+K]+	251.140788	151.2
[M+H-H2O]+	195.174890	144.3
[M+HCOO]-	257.175831	168.3
[M+CH3COO]-	271.191481	185.3
[M+Na-2H]-	233.152296	154.3
[M]+	212.17708142	144.8
[M]-	212.17817858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe