CID 80559

6305-18-6

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=CC=N2

InChI

InChI=1S/C13H11NO2/c1-16-11-7-5-10(6-8-11)13(15)12-4-2-3-9-14-12/h2-9H,1H3

InChIKey

ZYZQOYSKLICWGX-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)-pyridin-2-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 213.07898 Da
Monoisotopic Mass: 1.9
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]+	214.086256	145.1
[M+Na]+	236.068198	153.0
[M-H]-	212.071704	150.6
[M+NH4]+	231.112803	162.0
[M+K]+	252.042138	150.1
[M+H-H2O]+	196.076240	137.0
[M+HCOO]-	258.077181	168.1
[M+CH3COO]-	272.092831	186.9
[M+Na-2H]-	234.053646	151.9
[M]+	213.07843142	146.2
[M]-	213.07952858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe