CID 5283160

82948-88-7

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m1/s1
InChIKey
UVZBUUTTYHTDRR-NSEFZGNTSA-N
Compound name
(5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

34
Patents

336.23007 Da
Monoisotopic Mass

4.3
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

No literature data available for this compound.

Patent stripe

patents stripe