CID 155819709

Rac-2-{[(1r,2r)-2-methoxycyclohexyl]oxy}cyclohexan-1-ol

Structural Information

Molecular Formula
C13H24O3
SMILES
CO[C@@H]1CCCC[C@H]1OC2CCCCC2O
InChI
InChI=1S/C13H24O3/c1-15-12-8-4-5-9-13(12)16-11-7-3-2-6-10(11)14/h10-14H,2-9H2,1H3/t10?,11?,12-,13-/m1/s1
InChIKey
XXZQZEJIPQOKSW-FIYWTHMPSA-N
Compound name
2-[(1R,2R)-2-methoxycyclohexyl]oxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.17255 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.179826 154.7
[M+Na]+ 251.161768 156.8
[M-H]- 227.165274 158.3
[M+NH4]+ 246.206373 171.6
[M+K]+ 267.135708 155.2
[M+H-H2O]+ 211.169810 147.9
[M+HCOO]- 273.170751 169.8
[M+CH3COO]- 287.186401 187.1
[M+Na-2H]- 249.147216 155.4
[M]+ 228.17200142 148.1
[M]- 228.17309858 148.1
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

No patent data available for this compound.