CID 121732

30652-13-2

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CCCN1C=CC(=O)C(=C1C)O

InChI

InChI=1S/C9H13NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h4,6,12H,3,5H2,1-2H3

InChIKey

BFUSTCYJXIZANF-UHFFFAOYSA-N

Compound name

3-hydroxy-2-methyl-1-propylpyridin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 71
Patents: 167.09464 Da
Monoisotopic Mass: 1.4
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]+	168.10192	134.3
[M+Na]+	190.08386	147.8
[M+NH4]+	185.12846	142.0
[M+K]+	206.05780	141.8
[M-H]-	166.08736	135.3
[M+Na-2H]-	188.06931	140.4
[M]+	167.09409	136.4
[M]-	167.09519	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe