CID 6439103

5,20-dihete

Structural Information

Molecular Formula
C20H32O4
SMILES
C(CC/C=C/C/C=C/C/C=C/C=C/C(CCCC(=O)O)O)CCO
InChI
InChI=1S/C20H32O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,19,21-22H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/b4-2+,5-3+,10-8+,15-12+
InChIKey
IWYJGYZCHKEPCK-BHCYBMAPSA-N
Compound name
(6E,8E,11E,14E)-5,20-dihydroxyicosa-6,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

336.23007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 189.5
[M+Na]+ 359.21929 194.2
[M+NH4]+ 354.26389 189.5
[M+K]+ 375.19323 188.1
[M-H]- 335.22279 184.0
[M+Na-2H]- 357.20474 185.9
[M]+ 336.22952 187.7
[M]- 336.23062 187.7
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

No patent data available for this compound.