CID 14347466

3-(pyridin-4-yl)propan-1-amine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1=CN=CC=C1CCCN

InChI

InChI=1S/C8H12N2/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5,9H2

InChIKey

JURFPUSNTWSSPJ-UHFFFAOYSA-N

Compound name

3-pyridin-4-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 284
Patents: 136.10005 Da
Monoisotopic Mass: 0.4
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]+	137.10733	128.1
[M+Na]+	159.08927	140.5
[M+NH4]+	154.13387	137.0
[M+K]+	175.06321	133.5
[M-H]-	135.09277	130.8
[M+Na-2H]-	157.07472	136.0
[M]+	136.09950	130.5
[M]-	136.10060	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe