CID 55263199

3-(2-methoxypyridin-4-yl)propan-1-amine

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

COC1=NC=CC(=C1)CCCN

InChI

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

InChIKey

RRXUYDVQFCVQMC-UHFFFAOYSA-N

Compound name

3-(2-methoxy-4-pyridinyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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