CID 68314

5-amino-2-butoxypyridine

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CCCCOC1=NC=C(C=C1)N

InChI

InChI=1S/C9H14N2O/c1-2-3-6-12-9-5-4-8(10)7-11-9/h4-5,7H,2-3,6,10H2,1H3

InChIKey

DAFKCYYRSZSMAJ-UHFFFAOYSA-N

Compound name

6-butoxypyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 45
Patents: 166.11061 Da
Monoisotopic Mass: 1.7
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]+	167.11789	135.8
[M+Na]+	189.09983	143.3
[M-H]-	165.10333	137.6
[M+NH4]+	184.14443	154.8
[M+K]+	205.07377	141.3
[M+H-H2O]+	149.10787	128.9
[M+HCOO]-	211.10881	159.7
[M+CH3COO]-	225.12446	181.2
[M+Na-2H]-	187.08528	142.6
[M]+	166.11006	136.3
[M]-	166.11116	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe