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
1
Annotation Hits

0
References

155
Patents

332.27155 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 191.3
[M+Na]+ 355.26077 198.7
[M+NH4]+ 350.30537 195.5
[M+K]+ 371.23471 189.3
[M-H]- 331.26427 188.8
[M+Na-2H]- 353.24622 190.4
[M]+ 332.27100 191.2
[M]- 332.27210 191.2
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