CID 3252368

1-amino-2-methylpyridinium iodide

Structural Information

Molecular Formula

C₆H₉N₂

SMILES

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

InChI

InChI=1S/C6H9N2/c1-6-4-2-3-5-8(6)7/h2-5H,7H2,1H3/q+1

InChIKey

NNCLLCVOGHUVNC-UHFFFAOYSA-N

Compound name

2-methylpyridin-1-ium-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 109.07658 Da
Monoisotopic Mass: 1.1
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]+	110.08386	116.4
[M+Na]+	132.06580	131.7
[M+NH4]+	127.11040	126.9
[M+K]+	148.03974	126.0
[M-H]-	108.06930	121.0
[M+Na-2H]-	130.05125	125.8
[M]+	109.07603	120.2
[M]-	109.07713	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe