CID 76963865

Ethyl linoleate peroxide

Structural Information

Molecular Formula
C20H36O3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OOCC
InChI
InChI=1S/C20H36O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)23-22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
InChIKey
DYDQCZDXIVKADI-MURFETPASA-N
Compound name
ethyl (9Z,12Z)-octadeca-9,12-dieneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.26645 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.27373 187.9
[M+Na]+ 347.25567 190.2
[M-H]- 323.25917 185.8
[M+NH4]+ 342.30027 202.3
[M+K]+ 363.22961 186.4
[M+H-H2O]+ 307.26371 180.8
[M+HCOO]- 369.26465 207.5
[M+CH3COO]- 383.28030 211.3
[M+Na-2H]- 345.24112 186.4
[M]+ 324.26590 195.9
[M]- 324.26700 195.9
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.