CID 101625116

Ginsenoyne i

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCC[C@H]1[C@H](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+/t15?,16-,17+/m0/s1
InChIKey
AOXSLJSDFVRCQA-RCWAPVLCSA-N
Compound name
(4E)-8-[(2R,3S)-3-heptyloxiran-2-yl]octa-1,4-dien-6-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

262.19327 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 156.4
[M+Na]+ 285.182488 169.1
[M-H]- 261.185994 160.1
[M+NH4]+ 280.227093 167.7
[M+K]+ 301.156428 161.6
[M+H-H2O]+ 245.190530 146.6
[M+HCOO]- 307.191471 171.6
[M+CH3COO]- 321.207121 205.4
[M+Na-2H]- 283.167936 159.3
[M]+ 262.19272142 158.4
[M]- 262.19381858 158.4
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