CID 131752800

Ginsenoyne j

Structural Information

Molecular Formula
C17H26O
SMILES
CCCCCCC/C=C/CC#C/C=C/C(C=C)O
InChI
InChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,15-18H,2-3,5-9,12H2,1H3/b11-10+,16-15+
InChIKey
AZYMFOSYSFSUMW-QLJIQFCGSA-N
Compound name
(4E,9E)-heptadeca-1,4,9-trien-6-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

246.19836 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 162.9
[M+Na]+ 269.187578 169.2
[M-H]- 245.191084 160.2
[M+NH4]+ 264.232183 178.2
[M+K]+ 285.161518 163.3
[M+H-H2O]+ 229.195620 151.6
[M+HCOO]- 291.196561 176.7
[M+CH3COO]- 305.212211 200.4
[M+Na-2H]- 267.173026 162.6
[M]+ 246.19781142 159.0
[M]- 246.19890858 159.0
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