CID 536930

3,15-octadecadien-1-ol acetate

Structural Information

Molecular Formula
C20H36O2
SMILES
CCC=CCCCCCCCCCCC=CCCOC(=O)C
InChI
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h4-5,16-17H,3,6-15,18-19H2,1-2H3
InChIKey
HSNSJXNXPMWZDT-UHFFFAOYSA-N
Compound name
octadeca-3,15-dienyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.27155 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.278826 185.1
[M+Na]+ 331.260768 187.4
[M-H]- 307.264274 183.0
[M+NH4]+ 326.305373 200.2
[M+K]+ 347.234708 183.1
[M+H-H2O]+ 291.268810 178.2
[M+HCOO]- 353.269751 204.4
[M+CH3COO]- 367.285401 209.4
[M+Na-2H]- 329.246216 183.5
[M]+ 308.27100142 191.6
[M]- 308.27209858 191.6
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.