CID 131751133

Chebi:138781

Structural Information

Molecular Formula
C18H26O3
SMILES
CC/C=C\C=C\C=C/C=C/CCCCC(=O)CCC(=O)O
InChI
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3-,6-5+,8-7-,10-9+
InChIKey
ZYOSGENSARGRME-WYVWLRFESA-N
Compound name
(9E,11Z,13E,15Z)-4-oxooctadeca-9,11,13,15-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

290.1882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19548 176.4
[M+Na]+ 313.17742 183.2
[M+NH4]+ 308.22202 179.8
[M+K]+ 329.15136 176.3
[M-H]- 289.18092 172.5
[M+Na-2H]- 311.16287 175.0
[M]+ 290.18765 175.6
[M]- 290.18875 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.