CID 132472311

7-oxodocosahexaenoate

Structural Information

Molecular Formula
C22H30O3
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(=O)C/C=C\CCC(=O)O
InChI
InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15+
InChIKey
SITZAHBLAZBWRW-XJAVJPOHSA-N
Compound name
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosa-4,8,10,13,16,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

342.21948 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22676 191.8
[M+Na]+ 365.20870 197.9
[M+NH4]+ 360.25330 188.4
[M+K]+ 381.18264 190.0
[M-H]- 341.21220 187.2
[M+Na-2H]- 363.19415 189.2
[M]+ 342.21893 190.6
[M]- 342.22003 190.6
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