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 190.7
[M+Na]+ 355.26077 193.0
[M-H]- 331.26427 188.4
[M+NH4]+ 350.30537 204.9
[M+K]+ 371.23471 187.0
[M+H-H2O]+ 315.26881 183.8
[M+HCOO]- 377.26975 209.9
[M+CH3COO]- 391.28540 212.4
[M+Na-2H]- 353.24622 188.3
[M]+ 332.27100 196.5
[M]- 332.27210 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