CID 58629081

1-(5-methoxypyridin-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C1=NC=C(C=C1)OC)N

InChI

InChI=1S/C8H12N2O/c1-6(9)8-4-3-7(11-2)5-10-8/h3-6H,9H2,1-2H3

InChIKey

XFPSDYRFLSUNKD-UHFFFAOYSA-N

Compound name

1-(5-methoxypyridin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 152.09496 Da
Monoisotopic Mass: 0.1
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	139.6
[M+K]+	191.05812	137.9
[M-H]-	151.08768	133.4
[M+Na-2H]-	173.06963	138.2
[M]+	152.09441	133.5
[M]-	152.09551	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe