CID 70108

1,2-dimethylpyridinium iodide

Structural Information

Molecular Formula

C₇H₁₀N

SMILES

CC1=CC=CC=[N+]1C

InChI

InChI=1S/C7H10N/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/q+1

InChIKey

UMZDENILBZKMFY-UHFFFAOYSA-N

Compound name

1,2-dimethylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 1804
Patents: 108.08132 Da
Monoisotopic Mass: 1.4
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]+	109.08860	118.9
[M+Na]+	131.07054	128.2
[M-H]-	107.07404	122.1
[M+NH4]+	126.11514	140.8
[M+K]+	147.04448	121.6
[M+H-H2O]+	91.078580	116.2
[M+HCOO]-	153.07952	142.7
[M+CH3COO]-	167.09517	162.7
[M+Na-2H]-	129.05599	130.0
[M]+	108.08077	117.9
[M]-	108.08187	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe