CID 11151306

(5z,8z,11z,14z)-19-oxoicosa-5,8,11,14-tetraenoic acid

Structural Information

Molecular Formula
C20H30O3
SMILES
CC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-
InChIKey
KUPSOFRTWMTZDX-TWVHMNNTSA-N
Compound name
(5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 183.8
[M+Na]+ 341.20870 186.4
[M-H]- 317.21220 180.5
[M+NH4]+ 336.25330 197.5
[M+K]+ 357.18264 180.4
[M+H-H2O]+ 301.21674 177.4
[M+HCOO]- 363.21768 201.6
[M+CH3COO]- 377.23333 206.4
[M+Na-2H]- 339.19415 180.7
[M]+ 318.21893 187.1
[M]- 318.22003 187.1
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.