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]+ 229.17983 154.7
[M+Na]+ 251.16177 156.8
[M-H]- 227.16527 158.3
[M+NH4]+ 246.20637 171.6
[M+K]+ 267.13571 155.2
[M+H-H2O]+ 211.16981 147.9
[M+HCOO]- 273.17075 169.8
[M+CH3COO]- 287.18640 187.1
[M+Na-2H]- 249.14722 155.4
[M]+ 228.17200 148.1
[M]- 228.17310 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.