CID 4577933

4,6-dimethylcyclohexane-1,3-diol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1CC(C(CC1O)O)C
InChI
InChI=1S/C8H16O2/c1-5-3-6(2)8(10)4-7(5)9/h5-10H,3-4H2,1-2H3
InChIKey
WGXSWJYIAWIGBQ-UHFFFAOYSA-N
Compound name
4,6-dimethylcyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 131.2
[M+Na]+ 167.10426 137.9
[M-H]- 143.10776 132.2
[M+NH4]+ 162.14886 152.0
[M+K]+ 183.07820 136.2
[M+H-H2O]+ 127.11230 127.0
[M+HCOO]- 189.11324 149.1
[M+CH3COO]- 203.12889 171.7
[M+Na-2H]- 165.08971 134.0
[M]+ 144.11449 126.8
[M]- 144.11559 126.8
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