CID 13917179

16-hote

Structural Information

Molecular Formula
C18H30O3
SMILES
CCC(/C=C/C=C\C/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H30O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,13,15,17,19H,2,4,6-8,10,12,14,16H2,1H3,(H,20,21)/b5-3-,11-9-,15-13+
InChIKey
ILSZLGCGBGSHFR-CGLYFWTESA-N
Compound name
(9Z,12Z,14E)-16-hydroxyoctadeca-9,12,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

294.21948 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 178.5
[M+Na]+ 317.20870 184.7
[M+NH4]+ 312.25330 182.1
[M+K]+ 333.18264 178.3
[M-H]- 293.21220 174.6
[M+Na-2H]- 315.19415 176.7
[M]+ 294.21893 177.6
[M]- 294.22003 177.6
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

patents stripe