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]+ 277.179826 171.5
[M+Na]+ 299.161768 178.5
[M-H]- 275.165274 170.0
[M+NH4]+ 294.206373 181.5
[M+K]+ 315.135708 173.9
[M+H-H2O]+ 259.169810 157.9
[M+HCOO]- 321.170751 177.3
[M+CH3COO]- 335.186401 216.9
[M+Na-2H]- 297.147216 168.8
[M]+ 276.17200142 164.4
[M]- 276.17309858 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.