CID 5282766

2-nonadecenoic acid

Structural Information

Molecular Formula

C₁₉H₃₆O₂

SMILES

CCCCCCCCCCCCCCCC/C=C/C(=O)O

InChI

InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/b18-17+

InChIKey

INKQLYSQWHBEGS-ISLYRVAYSA-N

Compound name

(E)-nonadec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1253
Patents: 296.27155 Da
Monoisotopic Mass: 8.6
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]+	297.27883	182.3
[M+Na]+	319.26077	184.1
[M-H]-	295.26427	178.9
[M+NH4]+	314.30537	197.1
[M+K]+	335.23471	179.8
[M+H-H2O]+	279.26881	175.7
[M+HCOO]-	341.26975	200.2
[M+CH3COO]-	355.28540	206.0
[M+Na-2H]-	317.24622	180.7
[M]+	296.27100	187.4
[M]-	296.27210	187.4

Literature stripe

literature stripe

Patent stripe

patents stripe