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
3
Annotation Hits

0
References

2
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 174.9
[M+Na]+ 313.17742 178.4
[M-H]- 289.18092 172.0
[M+NH4]+ 308.22202 189.7
[M+K]+ 329.15136 172.8
[M+H-H2O]+ 273.18546 168.9
[M+HCOO]- 335.18640 193.3
[M+CH3COO]- 349.20205 200.3
[M+Na-2H]- 311.16287 172.9
[M]+ 290.18765 177.4
[M]- 290.18875 177.4
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

patents stripe