CID 131752801

Ginsenoyne i

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCCC1C(O1)CC#C/C=C\C(C=C)O
InChI
InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,9,12,15-18H,2-3,5-7,10,13-14H2,1H3/b12-9-
InChIKey
AOXSLJSDFVRCQA-XFXZXTDPSA-N
Compound name
(4Z)-8-(3-heptyloxiran-2-yl)octa-1,4-dien-6-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 160.1
[M+Na]+ 285.18249 170.2
[M+NH4]+ 280.22709 163.3
[M+K]+ 301.15643 162.5
[M-H]- 261.18599 159.4
[M+Na-2H]- 283.16794 161.4
[M]+ 262.19272 161.3
[M]- 262.19382 161.3
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