CID 71587902

Dihexyloxy cyclohexane

Structural Information

Molecular Formula

C₁₈H₃₆O₂

SMILES

CCCCCCO[C@@H]1CCCC[C@H]1OCCCCCC

InChI

InChI=1S/C18H36O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1

InChIKey

LFYFMBXHKOSIJE-QZTJIDSGSA-N

Compound name

trans-(1R,2R)-1,2-dihexoxycyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 284.27155 Da
Monoisotopic Mass: 5.9
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]+	285.278826	176.5
[M+Na]+	307.260768	177.8
[M-H]-	283.264274	177.5
[M+NH4]+	302.305373	192.3
[M+K]+	323.234708	175.4
[M+H-H2O]+	267.268810	169.1
[M+HCOO]-	329.269751	194.1
[M+CH3COO]-	343.285401	204.7
[M+Na-2H]-	305.246216	176.1
[M]+	284.27100142	178.7
[M]-	284.27209858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe