CID 61412870

3-methoxy-1-(pyridin-3-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

COCCC(C1=CN=CC=C1)N

InChI

InChI=1S/C9H14N2O/c1-12-6-4-9(10)8-3-2-5-11-7-8/h2-3,5,7,9H,4,6,10H2,1H3

InChIKey

PKZBBYAWXPEBFM-UHFFFAOYSA-N

Compound name

3-methoxy-1-pyridin-3-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 166.11061 Da
Monoisotopic Mass: 0.0
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	136.2
[M+Na]+	189.09983	147.5
[M+NH4]+	184.14443	144.2
[M+K]+	205.07377	141.6
[M-H]-	165.10333	138.0
[M+Na-2H]-	187.08528	142.9
[M]+	166.11006	138.1
[M]-	166.11116	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe