CID 4577933

187873-35-4

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

105
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 131.2
[M+Na]+ 167.104258 137.9
[M-H]- 143.107764 132.2
[M+NH4]+ 162.148863 152.0
[M+K]+ 183.078198 136.2
[M+H-H2O]+ 127.112300 127.0
[M+HCOO]- 189.113241 149.1
[M+CH3COO]- 203.128891 171.7
[M+Na-2H]- 165.089706 134.0
[M]+ 144.11449142 126.8
[M]- 144.11558858 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