CID 57489663

Panaquinquecol 6

Structural Information

Molecular Formula
C19H26O4
SMILES
CCCCCCCC1C(O1)C(C#CC#CC(C=C)O)OC(=O)C
InChI
InChI=1S/C19H26O4/c1-4-6-7-8-9-13-18-19(23-18)17(22-15(3)20)14-11-10-12-16(21)5-2/h5,16-19,21H,2,4,6-9,13H2,1,3H3
InChIKey
GWHBQXMCXHWXBO-UHFFFAOYSA-N
Compound name
[1-(3-heptyloxiran-2-yl)-6-hydroxyoct-7-en-2,4-diynyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.1831 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19038 182.2
[M+Na]+ 341.17232 188.9
[M+NH4]+ 336.21692 181.2
[M+K]+ 357.14626 181.2
[M-H]- 317.17582 174.7
[M+Na-2H]- 339.15777 179.1
[M]+ 318.18255 180.3
[M]- 318.18365 180.3
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

No patent data available for this compound.