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 176.5
[M+Na]+ 307.26077 177.8
[M-H]- 283.26427 177.5
[M+NH4]+ 302.30537 192.3
[M+K]+ 323.23471 175.4
[M+H-H2O]+ 267.26881 169.1
[M+HCOO]- 329.26975 194.1
[M+CH3COO]- 343.28540 204.7
[M+Na-2H]- 305.24622 176.1
[M]+ 284.27100 178.7
[M]- 284.27210 178.7
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