CID 59878861

Chebi:229486

Structural Information

Molecular Formula
C20H32O4
SMILES
C(CCC(/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)CCO
InChI
InChI=1S/C20H32O4/c21-18-14-10-12-16-19(22)15-11-8-6-4-2-1-3-5-7-9-13-17-20(23)24/h1-2,5-8,11,15,19,21-22H,3-4,9-10,12-14,16-18H2,(H,23,24)/b2-1-,7-5-,8-6-,15-11+
InChIKey
JEVGEQXHKWVAFE-MKRWSHOHSA-N
Compound name
(5Z,8Z,11Z,13E)-15,20-dihydroxyicosa-5,8,11,13-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.23007 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 189.3
[M+Na]+ 359.21929 190.5
[M-H]- 335.22279 183.0
[M+NH4]+ 354.26389 200.7
[M+K]+ 375.19323 183.9
[M+H-H2O]+ 319.22733 182.8
[M+HCOO]- 381.22827 203.9
[M+CH3COO]- 395.24392 204.3
[M+Na-2H]- 357.20474 185.1
[M]+ 336.22952 190.7
[M]- 336.23062 190.7
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