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
(1R,2R)-1,2-dihexoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.27155 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.27883 175.2
[M+Na]+ 307.26077 184.0
[M+NH4]+ 302.30537 182.6
[M+K]+ 323.23471 175.6
[M-H]- 283.26427 176.8
[M+Na-2H]- 305.24622 177.7
[M]+ 284.27100 176.7
[M]- 284.27210 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe