CID 238350

10420-97-0

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

COC1=CC=C(C=C1)C(=O)CC2=CC=CC=N2

InChI

InChI=1S/C14H13NO2/c1-17-13-7-5-11(6-8-13)14(16)10-12-4-2-3-9-15-12/h2-9H,10H2,1H3

InChIKey

YDDIGUFGIDJEEM-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-2-pyridin-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 227.09464 Da
Monoisotopic Mass: 2.1
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]+	228.101916	149.7
[M+Na]+	250.083858	157.2
[M-H]-	226.087364	155.1
[M+NH4]+	245.128463	166.1
[M+K]+	266.057798	154.1
[M+H-H2O]+	210.091900	141.4
[M+HCOO]-	272.092841	172.5
[M+CH3COO]-	286.108491	189.9
[M+Na-2H]-	248.069306	156.0
[M]+	227.09409142	151.2
[M]-	227.09518858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe