CID 134812178

8,15-dihete(n-3)

Structural Information

Molecular Formula
C20H32O4
SMILES
CC/C=C\CC(/C=C/C=C/C=C\C(CCCCCCC(=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/h3-5,8-10,14-15,18-19,21-22H,2,6-7,11-13,16-17H2,1H3,(H,23,24)/b5-4+,8-3-,14-9+,15-10-
InChIKey
IVADSWDDRQRJGO-UKCKVWFASA-N
Compound name
(9Z,11E,13E,17Z)-8,15-dihydroxyicosa-9,11,13,17-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 189.8
[M+Na]+ 359.219288 190.9
[M-H]- 335.222794 183.6
[M+NH4]+ 354.263893 201.2
[M+K]+ 375.193228 184.8
[M+H-H2O]+ 319.227330 183.5
[M+HCOO]- 381.228271 203.5
[M+CH3COO]- 395.243921 205.1
[M+Na-2H]- 357.204736 184.3
[M]+ 336.22952142 190.6
[M]- 336.23061858 190.6
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.