CID 3017535

4-(octylamino)pyridine

Structural Information

Molecular Formula

C₁₃H₂₂N₂

SMILES

CCCCCCCCNC1=CC=NC=C1

InChI

InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)

InChIKey

RHDWCSIBVZKRRU-UHFFFAOYSA-N

Compound name

N-octylpyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 206.1783 Da
Monoisotopic Mass: 4.3
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]+	207.18558	150.7
[M+Na]+	229.16752	162.4
[M+NH4]+	224.21212	159.0
[M+K]+	245.14146	153.9
[M-H]-	205.17102	153.4
[M+Na-2H]-	227.15297	157.7
[M]+	206.17775	153.1
[M]-	206.17885	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe