CID 72551575

19-hepe(1-)

Structural Information

Molecular Formula
C20H30O3
SMILES
CC(/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)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/h3-6,9-12,15,17,19,21H,2,7-8,13-14,16,18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-,17-15-
InChIKey
SQEKYOLLXDEHLF-LJFNSOSFSA-N
Compound name
(5Z,8Z,11Z,14Z,17Z)-19-hydroxyicosa-5,8,11,14,17-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.21948 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.226756 184.7
[M+Na]+ 341.208698 187.0
[M-H]- 317.212204 180.0
[M+NH4]+ 336.253303 197.7
[M+K]+ 357.182638 180.0
[M+H-H2O]+ 301.216740 178.5
[M+HCOO]- 363.217681 200.9
[M+CH3COO]- 377.233331 203.2
[M+Na-2H]- 339.194146 181.1
[M]+ 318.21893142 185.9
[M]- 318.22002858 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

patents stripe