CID 5317635

Ginsenoyne d

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCCC1C(O1)CC#CC#CC(CC)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/h15-18H,3-7,10,13-14H2,1-2H3
InChIKey
WDZQEROINMBCOK-UHFFFAOYSA-N
Compound name
8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

262.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 153.6
[M+Na]+ 285.182488 169.3
[M-H]- 261.185994 158.8
[M+NH4]+ 280.227093 163.7
[M+K]+ 301.156428 161.1
[M+H-H2O]+ 245.190530 143.5
[M+HCOO]- 307.191471 163.5
[M+CH3COO]- 321.207121 219.6
[M+Na-2H]- 283.167936 156.6
[M]+ 262.19272142 152.9
[M]- 262.19381858 152.9
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