CID 55266193

3-(6-methoxypyridin-3-yl)propan-1-amine

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

COC1=NC=C(C=C1)CCCN

InChI

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

InChIKey

CXRMNOBHRZVQQS-UHFFFAOYSA-N

Compound name

3-(6-methoxy-3-pyridinyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 166.11061 Da
Monoisotopic Mass: 0.8
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]+	167.117886	135.8
[M+Na]+	189.099828	143.3
[M-H]-	165.103334	137.6
[M+NH4]+	184.144433	154.8
[M+K]+	205.073768	141.3
[M+H-H2O]+	149.107870	128.9
[M+HCOO]-	211.108811	159.7
[M+CH3COO]-	225.124461	181.2
[M+Na-2H]-	187.085276	142.6
[M]+	166.11006142	136.3
[M]-	166.11115858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe