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]+ 371.24281 195.4
[M+Na]+ 393.22475 197.3
[M+NH4]+ 388.26935 197.1
[M+K]+ 409.19869 196.9
[M-H]- 369.22825 192.2
[M+Na-2H]- 391.21020 189.2
[M]+ 370.23498 192.4
[M]- 370.23608 192.4
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.