CID 209347

4-ethylpicolinium iodide

Structural Information

Molecular Formula

C₈H₁₂N

SMILES

CC[N+]1=CC=CC=C1C

InChI

InChI=1S/C8H12N/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3/q+1

InChIKey

FUZQTBHDJAOMJB-UHFFFAOYSA-N

Compound name

1-ethyl-2-methylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1031
Patents: 122.09698 Da
Monoisotopic Mass: 1.7
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]+	123.10426	123.7
[M+Na]+	145.08620	132.6
[M-H]-	121.08970	126.7
[M+NH4]+	140.13080	145.0
[M+K]+	161.06014	125.7
[M+H-H2O]+	105.09424	120.8
[M+HCOO]-	167.09518	147.2
[M+CH3COO]-	181.11083	165.7
[M+Na-2H]-	143.07165	134.2
[M]+	122.09643	123.0
[M]-	122.09753	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe