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
(1R,2S)-cyclooctane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
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

literature stripe

Patent stripe

patents stripe