CID 9831416

81926-94-5

Structural Information

Molecular Formula
C24H36O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC
InChI
InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKey
ITNKVODZACVXDS-YNUSHXQLSA-N
Compound name
ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

58
References

1671
Patents

356.27155 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.27883 196.2
[M+Na]+ 379.26077 198.4
[M-H]- 355.26427 193.7
[M+NH4]+ 374.30537 209.4
[M+K]+ 395.23471 190.6
[M+H-H2O]+ 339.26881 189.1
[M+HCOO]- 401.26975 215.1
[M+CH3COO]- 415.28540 215.5
[M+Na-2H]- 377.24622 192.8
[M]+ 356.27100 201.2
[M]- 356.27210 201.2
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

No patent data available for this compound.