CID 171118785

14-[1'z,3'z-hexadienyloxy]-5z,8z,11z,13e-tetradecatetraenoic acid

Structural Information

Molecular Formula
C20H28O3
SMILES
CC/C=C\C=C/O/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H28O3/c1-2-3-4-15-18-23-19-16-13-11-9-7-5-6-8-10-12-14-17-20(21)22/h3-5,7-8,10-11,13,15-16,18-19H,2,6,9,12,14,17H2,1H3,(H,21,22)/b4-3-,7-5-,10-8-,13-11-,18-15-,19-16+
InChIKey
VCYVOLPGNCXQIL-OOULCUCWSA-N
Compound name
(5Z,8Z,11Z,13E)-14-[(1Z,3Z)-hexa-1,3-dienoxy]tetradeca-5,8,11,13-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 181.9
[M+Na]+ 339.19308 185.2
[M-H]- 315.19658 178.7
[M+NH4]+ 334.23768 195.8
[M+K]+ 355.16702 178.1
[M+H-H2O]+ 299.20112 175.5
[M+HCOO]- 361.20206 200.9
[M+CH3COO]- 375.21771 203.5
[M+Na-2H]- 337.17853 180.2
[M]+ 316.20331 185.0
[M]- 316.20441 185.0
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.