CID 87314906

18-hydroxylinoleate

Structural Information

Molecular Formula
C18H32O3
SMILES
C(CCC/C=C\C/C=C\CCCCCO)CCCC(=O)O
InChI
InChI=1S/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7,19H,3-4,6,8-17H2,(H,20,21)/b2-1-,7-5-
InChIKey
KPBOLLJJMHIJPH-PQZOIKATSA-N
Compound name
(9Z,12Z)-18-hydroxyoctadeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

59
References

110
Patents

296.23514 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.242416 179.6
[M+Na]+ 319.224358 181.7
[M-H]- 295.227864 174.9
[M+NH4]+ 314.268963 193.6
[M+K]+ 335.198298 176.6
[M+H-H2O]+ 279.232400 173.2
[M+HCOO]- 341.233341 196.8
[M+CH3COO]- 355.248991 200.8
[M+Na-2H]- 317.209806 178.1
[M]+ 296.23459142 183.0
[M]- 296.23568858 183.0
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