CID 88320085

Chebi:194447

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

296.23514 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.242416 180.4
[M+Na]+ 319.224358 182.3
[M-H]- 295.227864 175.8
[M+NH4]+ 314.268963 194.3
[M+K]+ 335.198298 177.6
[M+H-H2O]+ 279.232400 174.1
[M+HCOO]- 341.233341 196.5
[M+CH3COO]- 355.248991 201.6
[M+Na-2H]- 317.209806 177.5
[M]+ 296.23459142 183.1
[M]- 296.23568858 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

No literature data available for this compound.

Patent stripe

patents stripe