CID 115056

Epomediol

Structural Information

Molecular Formula
C10H18O3
SMILES
CC1(C2CC(C(O1)(C(C2)O)C)O)C
InChI
InChI=1S/C10H18O3/c1-9(2)6-4-7(11)10(3,13-9)8(12)5-6/h6-8,11-12H,4-5H2,1-3H3
InChIKey
JSNQSLSBBZFGBM-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

134
Patents

186.1256 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 142.6
[M+Na]+ 209.114818 149.6
[M-H]- 185.118324 138.4
[M+NH4]+ 204.159423 168.8
[M+K]+ 225.088758 148.3
[M+H-H2O]+ 169.122860 139.5
[M+HCOO]- 231.123801 150.6
[M+CH3COO]- 245.139451 153.6
[M+Na-2H]- 207.100266 154.2
[M]+ 186.12505142 145.1
[M]- 186.12614858 145.1
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.