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

1
Patents

160.10994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 133.9
[M+Na]+ 183.09916 139.9
[M-H]- 159.10266 135.8
[M+NH4]+ 178.14376 154.3
[M+K]+ 199.07310 139.7
[M+H-H2O]+ 143.10720 128.8
[M+HCOO]- 205.10814 153.5
[M+CH3COO]- 219.12379 175.1
[M+Na-2H]- 181.08461 137.8
[M]+ 160.10939 132.4
[M]- 160.11049 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