CID 10888034

Cis-1,2-cyclooctanediol

Structural Information

Molecular Formula
C8H16O2
SMILES
C1CCC[C@@H]([C@@H](CC1)O)O
InChI
InChI=1S/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2/t7-,8+
InChIKey
HUSOFJYAGDTKSK-OCAPTIKFSA-N
Compound name
cis-(1S,2R)-cyclooctane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

144.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 141.2
[M+Na]+ 167.10426 145.3
[M-H]- 143.10776 141.8
[M+NH4]+ 162.14886 150.4
[M+K]+ 183.07820 145.7
[M+H-H2O]+ 127.11230 138.3
[M+HCOO]- 189.11324 149.3
[M+CH3COO]- 203.12889 216.1
[M+Na-2H]- 165.08971 141.6
[M]+ 144.11449 138.5
[M]- 144.11559 138.5
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.