CID 15085522

4-methoxy-1-(pyridin-3-yl)butan-1-one

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COCCCC(=O)C1=CN=CC=C1

InChI

InChI=1S/C10H13NO2/c1-13-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3

InChIKey

OSMVQPZBXMOVLI-UHFFFAOYSA-N

Compound name

4-methoxy-1-pyridin-3-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.09464 Da
Monoisotopic Mass: 0.6
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]+	180.101916	138.3
[M+Na]+	202.083858	145.3
[M-H]-	178.087364	140.2
[M+NH4]+	197.128463	156.9
[M+K]+	218.057798	144.0
[M+H-H2O]+	162.091900	131.4
[M+HCOO]-	224.092841	160.9
[M+CH3COO]-	238.108491	181.0
[M+Na-2H]-	200.069306	144.9
[M]+	179.09409142	140.7
[M]-	179.09518858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.