CID 121733

4(1h)-pyridinone, 1-butyl-3-hydroxy-2-methyl-

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCCCN1C=CC(=O)C(=C1C)O

InChI

InChI=1S/C10H15NO2/c1-3-4-6-11-7-5-9(12)10(13)8(11)2/h5,7,13H,3-4,6H2,1-2H3

InChIKey

YYJBZFVEZYRNEW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 43
Patents: 181.11028 Da
Monoisotopic Mass: 1.8
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]+	182.11756	137.6
[M+Na]+	204.09950	147.3
[M-H]-	180.10300	139.3
[M+NH4]+	199.14410	156.5
[M+K]+	220.07344	144.6
[M+H-H2O]+	164.10754	131.7
[M+HCOO]-	226.10848	159.7
[M+CH3COO]-	240.12413	181.0
[M+Na-2H]-	202.08495	142.8
[M]+	181.10973	139.9
[M]-	181.11083	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe