CID 15725812

Ginsenoyne f

Structural Information

Molecular Formula
C19H24O3
SMILES
CC(=O)OC(C=C)C#CC#CCC1C(O1)CCCCCC=C
InChI
InChI=1S/C19H24O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h4-5,17-19H,1-2,6-8,11,14-15H2,3H3
InChIKey
WGUFHMCIXUZUAL-UHFFFAOYSA-N
Compound name
8-(3-hept-6-enyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

300.17255 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.179826 163.8
[M+Na]+ 323.161768 179.6
[M-H]- 299.165274 169.6
[M+NH4]+ 318.206373 173.1
[M+K]+ 339.135708 170.7
[M+H-H2O]+ 283.169810 153.3
[M+HCOO]- 345.170751 173.8
[M+CH3COO]- 359.186401 224.7
[M+Na-2H]- 321.147216 165.1
[M]+ 300.17200142 163.6
[M]- 300.17309858 163.6
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