CID 123098

1121-58-0

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

CNC1=CC=NC=C1

InChI

InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8)

InChIKey

LSCYTCMNCWMCQE-UHFFFAOYSA-N

Compound name

N-methylpyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 3602
Patents: 108.06875 Da
Monoisotopic Mass: 0.8
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]+	109.07603	119.0
[M+Na]+	131.05797	132.1
[M+NH4]+	126.10257	128.4
[M+K]+	147.03191	125.4
[M-H]-	107.06147	122.0
[M+Na-2H]-	129.04342	127.9
[M]+	108.06820	121.7
[M]-	108.06930	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe