CID 1727

4-aminopyridine

Structural Information

Molecular Formula

C₅H₆N₂

SMILES

C1=CN=CC=C1N

InChI

InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)

InChIKey

NUKYPUAOHBNCPY-UHFFFAOYSA-N

Compound name

pyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 5217
References: 33318
Patents: 94.0531 Da
Monoisotopic Mass: 0.3
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]+	95.060376	114.5
[M+Na]+	117.04232	127.5
[M+NH4]+	112.08692	123.9
[M+K]+	133.01626	121.2
[M-H]-	93.045824	117.3
[M+Na-2H]-	115.02777	123.2
[M]+	94.052551	117.0
[M]-	94.053649	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe