CID 5282184

Ethyl linoleate

Structural Information

Molecular Formula
C20H36O2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC
InChI
InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
InChIKey
FMMOOAYVCKXGMF-MURFETPASA-N
Compound name
ethyl (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

98
References

14006
Patents

308.27155 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.27883 185.1
[M+Na]+ 331.26077 187.4
[M-H]- 307.26427 183.0
[M+NH4]+ 326.30537 200.2
[M+K]+ 347.23471 183.1
[M+H-H2O]+ 291.26881 178.2
[M+HCOO]- 353.26975 204.4
[M+CH3COO]- 367.28540 209.4
[M+Na-2H]- 329.24622 183.5
[M]+ 308.27100 191.6
[M]- 308.27210 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

patents stripe