CID 129626663

Chebi:137475

Structural Information

Molecular Formula
C20H32O4
SMILES
C(CC/C=C\CC1C(O1)C/C=C\C/C=C\CCCC(=O)O)CCO
InChI
InChI=1S/C20H32O4/c21-17-13-9-5-4-7-11-15-19-18(24-19)14-10-6-2-1-3-8-12-16-20(22)23/h1,3,6-7,10-11,18-19,21H,2,4-5,8-9,12-17H2,(H,22,23)/b3-1-,10-6-,11-7-
InChIKey
IGTPAVNSPWMOQM-WDVHGCLESA-N
Compound name
(5Z,8Z)-10-[3-[(Z)-8-hydroxyoct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 183.9
[M+Na]+ 359.219288 188.6
[M-H]- 335.222794 184.7
[M+NH4]+ 354.263893 190.8
[M+K]+ 375.193228 182.4
[M+H-H2O]+ 319.227330 176.6
[M+HCOO]- 381.228271 200.4
[M+CH3COO]- 395.243921 209.3
[M+Na-2H]- 357.204736 183.0
[M]+ 336.22952142 191.1
[M]- 336.23061858 191.1
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.