CID 9543624

9-hydroxy-2z,5e,7z,11z,14z-eicosapentaenoic acid

Structural Information

Molecular Formula
C20H30O3
SMILES
CCCCC/C=C\C/C=C\CC(/C=C\C=C\C/C=C\C(=O)O)O
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-15,17-19,21H,2-5,8,12,16H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17-14-,18-15-
InChIKey
HYIMLVVUIPGBLR-MFUNBAKFSA-N
Compound name
(2Z,5E,7Z,11Z,14Z)-9-hydroxyicosa-2,5,7,11,14-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 184.7
[M+Na]+ 341.20870 187.0
[M-H]- 317.21220 180.0
[M+NH4]+ 336.25330 197.7
[M+K]+ 357.18264 180.0
[M+H-H2O]+ 301.21674 178.5
[M+HCOO]- 363.21768 200.9
[M+CH3COO]- 377.23333 203.2
[M+Na-2H]- 339.19415 181.1
[M]+ 318.21893 185.9
[M]- 318.22003 185.9
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.