CID 15725814

Ginsenoyne h

Structural Information

Molecular Formula
C19H26O3
SMILES
CCC(C#CC#CCC1C(O1)CCCCCC=C)OC(=O)C
InChI
InChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h4,17-19H,1,5-8,11,14-15H2,2-3H3
InChIKey
DFNOHNMHWQVJHX-UHFFFAOYSA-N
Compound name
8-(3-hept-6-enyloxiran-2-yl)octa-4,6-diyn-3-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

302.1882 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 162.8
[M+Na]+ 325.17742 178.4
[M-H]- 301.18092 168.5
[M+NH4]+ 320.22202 172.1
[M+K]+ 341.15136 170.0
[M+H-H2O]+ 285.18546 152.2
[M+HCOO]- 347.18640 172.7
[M+CH3COO]- 361.20205 225.1
[M+Na-2H]- 323.16287 164.3
[M]+ 302.18765 163.1
[M]- 302.18875 163.1
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