CID 5282946

12-hydroxy-9z,15z-octadecadienoic acid

Structural Information

Molecular Formula
C18H32O3
SMILES
CC/C=C\CCC(C/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,12,17,19H,2,5-8,10-11,13-16H2,1H3,(H,20,21)/b4-3-,12-9-
InChIKey
OKIDIWHWTIMACU-UYOLCUGSSA-N
Compound name
(9Z,15Z)-12-hydroxyoctadeca-9,15-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

401
Patents

296.23514 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24242 180.4
[M+Na]+ 319.22436 182.3
[M-H]- 295.22786 175.8
[M+NH4]+ 314.26896 194.3
[M+K]+ 335.19830 177.6
[M+H-H2O]+ 279.23240 174.1
[M+HCOO]- 341.23334 196.5
[M+CH3COO]- 355.24899 201.6
[M+Na-2H]- 317.20981 177.5
[M]+ 296.23459 183.1
[M]- 296.23569 183.1
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