CID 559236

Bicyclo[2.2.2]octane-1,4-diol

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CC2(CCC1(CC2)O)O
InChI
InChI=1S/C8H14O2/c9-7-1-2-8(10,5-3-7)6-4-7/h9-10H,1-6H2
InChIKey
BHSZKPHKWKSMKX-UHFFFAOYSA-N
Compound name
bicyclo[2.2.2]octane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

142.09938 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.1
[M+Na]+ 165.08860 139.1
[M+NH4]+ 160.13320 143.8
[M+K]+ 181.06254 129.3
[M-H]- 141.09210 127.7
[M+Na-2H]- 163.07405 130.9
[M]+ 142.09883 130.9
[M]- 142.09993 130.9
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

patents stripe