CID 547125

3,5-dimethoxycyclohexan-1-ol

Structural Information

Molecular Formula
C8H16O3
SMILES
COC1CC(CC(C1)OC)O
InChI
InChI=1S/C8H16O3/c1-10-7-3-6(9)4-8(5-7)11-2/h6-9H,3-5H2,1-2H3
InChIKey
LGSMLWJSCSQCNV-UHFFFAOYSA-N
Compound name
3,5-dimethoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

160.10994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 133.9
[M+Na]+ 183.099158 139.9
[M-H]- 159.102664 135.8
[M+NH4]+ 178.143763 154.3
[M+K]+ 199.073098 139.7
[M+H-H2O]+ 143.107200 128.8
[M+HCOO]- 205.108141 153.5
[M+CH3COO]- 219.123791 175.1
[M+Na-2H]- 181.084606 137.8
[M]+ 160.10939142 132.4
[M]- 160.11048858 132.4
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