CID 10708957

17-hydroxylinolenic acid

Structural Information

Molecular Formula
C18H30O3
SMILES
CC(/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-
InChIKey
PSQSSLVXOIJSMX-XAFOFORCSA-N
Compound name
(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

294.21948 Da
Monoisotopic Mass

4.6
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

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