CID 32108

23826-71-3

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

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

InChI

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

InChIKey

JVCNCXKAEBIVBO-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
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]+	214.08626	145.1
[M+Na]+	236.06820	153.0
[M-H]-	212.07170	150.6
[M+NH4]+	231.11280	162.0
[M+K]+	252.04214	150.1
[M+H-H2O]+	196.07624	137.0
[M+HCOO]-	258.07718	168.1
[M+CH3COO]-	272.09283	186.9
[M+Na-2H]-	234.05365	151.9
[M]+	213.07843	146.2
[M]-	213.07953	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe