CID 20585174

406212-35-9

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CC(=O)C1=C(C=CC=N1)OCC2=CC=CC=C2

InChI

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

InChIKey

PTYNFLFMHHBKEJ-UHFFFAOYSA-N

Compound name

1-(3-phenylmethoxypyridin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 227.09464 Da
Monoisotopic Mass: 2.3
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]+	228.10192	149.7
[M+Na]+	250.08386	157.2
[M-H]-	226.08736	155.1
[M+NH4]+	245.12846	166.1
[M+K]+	266.05780	154.1
[M+H-H2O]+	210.09190	141.4
[M+HCOO]-	272.09284	172.5
[M+CH3COO]-	286.10849	189.9
[M+Na-2H]-	248.06931	156.0
[M]+	227.09409	151.2
[M]-	227.09519	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe