CID 24970825

10-oxo-12(z)-octadecenoic acid

Structural Information

Molecular Formula

C₁₈H₃₂O₃

SMILES

CCCCC/C=C\CC(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-

InChIKey

IEQLMTRAAYQDSD-FLIBITNWSA-N

Compound name

(Z)-10-oxooctadec-12-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 91
Patents: 296.23514 Da
Monoisotopic Mass: 5.3
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]+	297.24242	178.5
[M+Na]+	319.22436	185.1
[M+NH4]+	314.26896	182.7
[M+K]+	335.19830	178.5
[M-H]-	295.22786	175.3
[M+Na-2H]-	317.20981	177.4
[M]+	296.23459	178.0
[M]-	296.23569	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe