CID 122391312

Chebi:134054

Structural Information

Molecular Formula
C20H30O3
SMILES
CCCCC/C=C\C/C=C\C=C/1\[C@H](O1)C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,15,19H,2-5,8,11,14,16-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-,18-15-/t19-/m1/s1
InChIKey
PVKOQJATMIOZNV-DXJGWMFSSA-N
Compound name
(Z)-7-[(2R,3Z)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.226756 180.8
[M+Na]+ 341.208698 186.4
[M-H]- 317.212204 183.1
[M+NH4]+ 336.253303 189.2
[M+K]+ 357.182638 180.1
[M+H-H2O]+ 301.216740 173.5
[M+HCOO]- 363.217681 198.7
[M+CH3COO]- 377.233331 208.3
[M+Na-2H]- 339.194146 180.2
[M]+ 318.21893142 187.6
[M]- 318.22002858 187.6
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.