CID 5317632

Ginsenoyne a

Structural Information

Molecular Formula
C17H22O2
SMILES
C=CCCCCCC1C(O1)CC#CC#CC(C=C)O
InChI
InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h3-4,15-18H,1-2,5-7,10,13-14H2
InChIKey
FTXZFRIHQNXZNH-UHFFFAOYSA-N
Compound name
8-(3-hept-6-enyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

258.162 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 155.8
[M+Na]+ 281.15122 171.9
[M-H]- 257.15472 161.1
[M+NH4]+ 276.19582 165.9
[M+K]+ 297.12516 162.8
[M+H-H2O]+ 241.15926 145.7
[M+HCOO]- 303.16020 165.8
[M+CH3COO]- 317.17585 218.6
[M+Na-2H]- 279.13667 158.5
[M]+ 258.16145 154.1
[M]- 258.16255 154.1
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