CID 5282796

Isolinoleic acid

Structural Information

Molecular Formula

C₁₈H₃₂O₂

SMILES

CCCCCC/C=C/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9+

InChIKey

JBYXPOFIGCOSSB-XBLVEGMJSA-N

Compound name

(9E,11E)-octadeca-9,11-dienoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 277
References: 17620
Patents: 280.24023 Da
Monoisotopic Mass: 7.1
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]+	281.24751	175.8
[M+Na]+	303.22945	183.3
[M+NH4]+	298.27405	180.8
[M+K]+	319.20339	175.3
[M-H]-	279.23295	173.5
[M+Na-2H]-	301.21490	175.6
[M]+	280.23968	175.8
[M]-	280.24078	175.8

Literature stripe

literature stripe

Patent stripe

patents stripe