CID 15736260

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-FMIVXFBMSA-N
Compound name
(4E)-8-(3-heptyloxiran-2-yl)octa-1,4-dien-6-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
3
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]+ 263.20055 156.4
[M+Na]+ 285.18249 169.1
[M-H]- 261.18599 160.1
[M+NH4]+ 280.22709 167.7
[M+K]+ 301.15643 161.6
[M+H-H2O]+ 245.19053 146.6
[M+HCOO]- 307.19147 171.6
[M+CH3COO]- 321.20712 205.4
[M+Na-2H]- 283.16794 159.3
[M]+ 262.19272 158.4
[M]- 262.19382 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.