CID 6449488

123940-93-2

Structural Information

Molecular Formula
C22H36O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC
InChI
InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-
InChIKey
LKBDTOYINRNCSY-AFSLFLIVSA-N
Compound name
ethyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

332.27155 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.278826 190.7
[M+Na]+ 355.260768 193.0
[M-H]- 331.264274 188.4
[M+NH4]+ 350.305373 204.9
[M+K]+ 371.234708 187.0
[M+H-H2O]+ 315.268810 183.8
[M+HCOO]- 377.269751 209.9
[M+CH3COO]- 391.285401 212.4
[M+Na-2H]- 353.246216 188.3
[M]+ 332.27100142 196.5
[M]- 332.27209858 196.5
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

patents stripe