CID 1559747

2-methyl-1-(2-oxo-2-phenylethyl)pyridinium chloride

Structural Information

Molecular Formula

C₁₄H₁₄NO

SMILES

CC1=CC=CC=[N+]1CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14NO/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1

InChIKey

ZPHBROYGBIQXLA-UHFFFAOYSA-N

Compound name

2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 212.10754 Da
Monoisotopic Mass: 2.9
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]+	213.11482	145.8
[M+Na]+	235.09676	163.3
[M+NH4]+	230.14136	155.9
[M+K]+	251.07070	155.8
[M-H]-	211.10026	152.0
[M+Na-2H]-	233.08221	157.1
[M]+	212.10699	150.6
[M]-	212.10809	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe