CID 1116159

Epomediol

Structural Information

Molecular Formula
C10H18O3
SMILES
CC1(C2C[C@H](C(O1)([C@H](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/t6?,7-,8+,10?
InChIKey
JSNQSLSBBZFGBM-VZCHMASFSA-N
Compound name
(6S,7R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-6,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

191
Patents

186.1256 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 142.6
[M+Na]+ 209.11482 149.6
[M-H]- 185.11832 138.4
[M+NH4]+ 204.15942 168.8
[M+K]+ 225.08876 148.3
[M+H-H2O]+ 169.12286 139.5
[M+HCOO]- 231.12380 150.6
[M+CH3COO]- 245.13945 153.6
[M+Na-2H]- 207.10027 154.2
[M]+ 186.12505 145.1
[M]- 186.12615 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

patents stripe