CID 53480358

8,15-dihete

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCCC(/C=C/C=C\C=C\C(C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+
InChIKey
NNPWRKSGORGTIM-RCDCWWQHSA-N
Compound name
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

79
Patents

336.23007 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 189.4
[M+Na]+ 359.21929 193.7
[M+NH4]+ 354.26389 190.4
[M+K]+ 375.19323 188.5
[M-H]- 335.22279 183.7
[M+Na-2H]- 357.20474 185.5
[M]+ 336.22952 187.5
[M]- 336.23062 187.5
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