CID 10488627

30652-18-7

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCCCCCN1C=CC(=O)C(=C1C)O

InChI

InChI=1S/C12H19NO2/c1-3-4-5-6-8-13-9-7-11(14)12(15)10(13)2/h7,9,15H,3-6,8H2,1-2H3

InChIKey

UJMBXXIGVFMNDN-UHFFFAOYSA-N

Compound name

1-hexyl-3-hydroxy-2-methylpyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 65
Patents: 209.14159 Da
Monoisotopic Mass: 2.8
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]+	210.14887	147.9
[M+Na]+	232.13081	160.7
[M+NH4]+	227.17541	155.0
[M+K]+	248.10475	154.0
[M-H]-	208.13431	148.7
[M+Na-2H]-	230.11626	153.1
[M]+	209.14104	149.8
[M]-	209.14214	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe