CID 13723964

Chebi:195402

Structural Information

Molecular Formula
C20H36O3
SMILES
CCCCC[C@@H](/C=C/C=C\CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+/t19-/m0/s1
InChIKey
ZTRWPEHMGCHTIT-XMSPSUPSSA-N
Compound name
(11Z,13E,15S)-15-hydroxyicosa-11,13-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

324.26645 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.27373 187.8
[M+Na]+ 347.25567 193.5
[M+NH4]+ 342.30027 191.3
[M+K]+ 363.22961 186.7
[M-H]- 323.25917 184.0
[M+Na-2H]- 345.24112 185.6
[M]+ 324.26590 186.9
[M]- 324.26700 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe