CID 15736266

Ginsenoyne k

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCCCCCC(/C=C/C#CC#CC(C=C)O)OO
InChI
InChI=1S/C17H24O3/c1-3-5-6-7-11-14-17(20-19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12+
InChIKey
SYNBBWLEYQBFQT-NTCAYCPXSA-N
Compound name
(8E)-10-hydroperoxyheptadeca-1,8-dien-4,6-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

276.17255 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 171.5
[M+Na]+ 299.16177 178.5
[M-H]- 275.16527 170.0
[M+NH4]+ 294.20637 181.5
[M+K]+ 315.13571 173.9
[M+H-H2O]+ 259.16981 157.9
[M+HCOO]- 321.17075 177.3
[M+CH3COO]- 335.18640 216.9
[M+Na-2H]- 297.14722 168.8
[M]+ 276.17200 164.4
[M]- 276.17310 164.4
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.