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 142.8
[M+Na]+ 209.11482 150.2
[M-H]- 185.11832 138.7
[M+NH4]+ 204.15942 170.7
[M+K]+ 225.08876 148.7
[M+H-H2O]+ 169.12286 139.5
[M+HCOO]- 231.12380 150.8
[M+CH3COO]- 245.13945 153.9
[M+Na-2H]- 207.10027 156.0
[M]+ 186.12505 145.4
[M]- 186.12615 145.4
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.