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

9
Annotation Hits: 5221
References: 39922
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	114.2
[M+Na]+	117.04232	122.6
[M-H]-	93.045824	116.4
[M+NH4]+	112.08692	135.8
[M+K]+	133.01626	121.2
[M+H-H2O]+	77.050360	108.2
[M+HCOO]-	139.05130	139.3
[M+CH3COO]-	153.06695	165.9
[M+Na-2H]-	115.02777	124.1
[M]+	94.052551	111.4
[M]-	94.053649	111.4

Literature stripe

literature stripe

Patent stripe

patents stripe