CID 86583344

(5z,9e,12s,14z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid

Structural Information

Molecular Formula
C20H34O6
SMILES
C(CC/C=C\C[C@H](C(/C=C/C(C/C=C\CCCC(=O)O)O)O)O)CCO
InChI
InChI=1S/C20H34O6/c21-16-10-6-2-1-3-8-12-18(23)19(24)15-14-17(22)11-7-4-5-9-13-20(25)26/h3-4,7-8,14-15,17-19,21-24H,1-2,5-6,9-13,16H2,(H,25,26)/b7-4-,8-3-,15-14+/t17?,18-,19?/m1/s1
InChIKey
ZPPVESFLJWNSHL-OFZLGVHBSA-N
Compound name
(5Z,9E,12R,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.23553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.242806 196.6
[M+Na]+ 393.224748 195.9
[M-H]- 369.228254 187.4
[M+NH4]+ 388.269353 189.6
[M+K]+ 409.198688 190.7
[M+H-H2O]+ 353.232790 190.1
[M+HCOO]- 415.233731 194.1
[M+CH3COO]- 429.249381 207.1
[M+Na-2H]- 391.210196 189.0
[M]+ 370.23498142 196.5
[M]- 370.23607858 196.5
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

No patent data available for this compound.