CID 171119147

8,9-11,12-diepoxy-13-hydroxyeicosadienoic acid

Structural Information

Molecular Formula
C20H32O5
SMILES
CCCCC/C=C\[C@H](C1C(O1)C2C(O2)CC/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O5/c1-2-3-4-6-9-12-15(21)18-20(25-18)19-16(24-19)13-10-7-5-8-11-14-17(22)23/h5,7,9,12,15-16,18-21H,2-4,6,8,10-11,13-14H2,1H3,(H,22,23)/b7-5-,12-9-/t15-,16?,18?,19?,20?/m1/s1
InChIKey
NNESHPVDBNUTIY-DFKICKGFSA-N
Compound name
(Z)-8-[3-[3-[(Z,1R)-1-hydroxyoct-2-enyl]oxiran-2-yl]oxiran-2-yl]oct-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.22498 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23226 185.8
[M+Na]+ 375.21420 190.1
[M-H]- 351.21770 190.8
[M+NH4]+ 370.25880 185.8
[M+K]+ 391.18814 186.8
[M+H-H2O]+ 335.22224 178.8
[M+HCOO]- 397.22318 198.2
[M+CH3COO]- 411.23883 219.1
[M+Na-2H]- 373.19965 183.6
[M]+ 352.22443 195.2
[M]- 352.22553 195.2
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.