CID 132282523

Chebi:140346

Structural Information

Molecular Formula
C22H30O3
SMILES
CC/C=C\C[C@@H]1/C(=C\C=C/C/C=C\C/C=C\C/C=C\CCC(=O)O)/O1
InChI
InChI=1S/C22H30O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,18,20H,2,4,9-10,16-17,19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-3-,15-12-,21-18+/t20-/m1/s1
InChIKey
GNNVMCUWAZZAPX-DUDYUTRASA-N
Compound name
(4Z,7Z,10Z,13Z,15E)-15-[(3R)-3-[(Z)-pent-2-enyl]oxiran-2-ylidene]pentadeca-4,7,10,13-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.21948 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22676 186.9
[M+Na]+ 365.20870 192.4
[M-H]- 341.21220 189.0
[M+NH4]+ 360.25330 194.4
[M+K]+ 381.18264 184.5
[M+H-H2O]+ 325.21674 179.5
[M+HCOO]- 387.21768 204.6
[M+CH3COO]- 401.23333 211.4
[M+Na-2H]- 363.19415 185.4
[M]+ 342.21893 192.9
[M]- 342.22003 192.9
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.