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: 7
Patents: 294.21948 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.226756	178.9
[M+Na]+	317.208698	181.2
[M-H]-	293.212204	174.4
[M+NH4]+	312.253303	192.9
[M+K]+	333.182638	176.0
[M+H-H2O]+	277.216740	172.8
[M+HCOO]-	339.217681	195.3
[M+CH3COO]-	353.233331	200.1
[M+Na-2H]-	315.194146	176.1
[M]+	294.21893142	180.9
[M]-	294.22002858	180.9

Literature stripe

literature stripe

Patent stripe

patents stripe