CID 170159

39108-47-9

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

CCCCN1C(=O)C=C(C(=C1O)C#N)C

InChI

InChI=1S/C11H14N2O2/c1-3-4-5-13-10(14)6-8(2)9(7-12)11(13)15/h6,15H,3-5H2,1-2H3

InChIKey

JSCJSXHNBIXPBU-UHFFFAOYSA-N

Compound name

1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 243
Patents: 206.10553 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]+	207.11281	142.4
[M+Na]+	229.09475	153.8
[M-H]-	205.09825	143.8
[M+NH4]+	224.13935	158.5
[M+K]+	245.06869	150.7
[M+H-H2O]+	189.10279	129.9
[M+HCOO]-	251.10373	160.7
[M+CH3COO]-	265.11938	198.2
[M+Na-2H]-	227.08020	146.1
[M]+	206.10498	139.9
[M]-	206.10608	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe