CID 15725813

Ginsenoyne g

Structural Information

Molecular Formula
C19H28O3
SMILES
CCCCCCCC1C(O1)CC#CC#CC(CC)OC(=O)C
InChI
InChI=1S/C19H28O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h17-19H,4-8,11,14-15H2,1-3H3
InChIKey
UDOFLRJQZVKUBL-UHFFFAOYSA-N
Compound name
8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

304.20386 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 161.7
[M+Na]+ 327.19308 177.1
[M-H]- 303.19658 167.5
[M+NH4]+ 322.23768 171.1
[M+K]+ 343.16702 169.2
[M+H-H2O]+ 287.20112 151.2
[M+HCOO]- 349.20206 171.7
[M+CH3COO]- 363.21771 225.6
[M+Na-2H]- 325.17853 163.4
[M]+ 304.20331 162.5
[M]- 304.20441 162.5
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