CID 14397403

125767-31-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC=NC(=C1)OCCCN

InChI

InChI=1S/C8H12N2O/c9-5-3-7-11-8-4-1-2-6-10-8/h1-2,4,6H,3,5,7,9H2

InChIKey

PMHZFXDMLGVRSD-UHFFFAOYSA-N

Compound name

3-pyridin-2-yloxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 152.09496 Da
Monoisotopic Mass: 0.9
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]+	153.10224	131.4
[M+Na]+	175.08418	143.3
[M+NH4]+	170.12878	139.7
[M+K]+	191.05812	136.8
[M-H]-	151.08768	133.5
[M+Na-2H]-	173.06963	138.7
[M]+	152.09441	133.5
[M]-	152.09551	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe