CID 188642

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol

Structural Information

Molecular Formula
C10H18O3
SMILES
CC1(C2(CCC(O1)(C(C2)O)C)O)C
InChI
InChI=1S/C10H18O3/c1-8(2)10(12)5-4-9(3,13-8)7(11)6-10/h7,11-12H,4-6H2,1-3H3
InChIKey
PEWQMISWINPIPZ-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 140.8
[M+Na]+ 209.11482 150.0
[M+NH4]+ 204.15942 154.8
[M+K]+ 225.08876 139.4
[M-H]- 185.11832 139.3
[M+Na-2H]- 207.10027 141.4
[M]+ 186.12505 142.1
[M]- 186.12615 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.