CID 13967189

68353-24-2

Structural Information

Molecular Formula

C₁₉H₂₇NO

SMILES

CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C

InChI

InChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)2/h10-11,13-15H,3-9,12H2,1-2H3

InChIKey

XIGBBPQAXHSVSN-UHFFFAOYSA-N

Compound name

1-methyl-2-nonylquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 285.20926 Da
Monoisotopic Mass: 6.1
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]+	286.216536	170.9
[M+Na]+	308.198478	178.5
[M-H]-	284.201984	173.4
[M+NH4]+	303.243083	187.1
[M+K]+	324.172418	173.1
[M+H-H2O]+	268.206520	162.7
[M+HCOO]-	330.207461	191.0
[M+CH3COO]-	344.223111	206.1
[M+Na-2H]-	306.183926	174.7
[M]+	285.20871142	175.4
[M]-	285.20980858	175.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.