CID 5284421

Methyl linoleate

Structural Information

Molecular Formula

C₁₉H₃₄O₂

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC

InChI

InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-

InChIKey

WTTJVINHCBCLGX-NQLNTKRDSA-N

Compound name

methyl (9Z,12Z)-octadeca-9,12-dienoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 373
References: 10161
Patents: 294.2559 Da
Monoisotopic Mass: 6.9
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]+	295.26318	180.6
[M+Na]+	317.24512	183.3
[M-H]-	293.24862	178.7
[M+NH4]+	312.28972	196.3
[M+K]+	333.21906	179.3
[M+H-H2O]+	277.25316	173.9
[M+HCOO]-	339.25410	200.3
[M+CH3COO]-	353.26975	206.5
[M+Na-2H]-	315.23057	179.6
[M]+	294.25535	186.8
[M]-	294.25645	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe