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
2
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 180.4
[M+Na]+ 299.16177 186.1
[M+NH4]+ 294.20637 178.7
[M+K]+ 315.13571 176.3
[M-H]- 275.16527 166.5
[M+Na-2H]- 297.14722 175.2
[M]+ 276.17200 175.8
[M]- 276.17310 175.8
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.