CID 53407550

154403-89-1

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

COC1=NC=C(C=C1)CCN

InChI

InChI=1S/C8H12N2O/c1-11-8-3-2-7(4-5-9)6-10-8/h2-3,6H,4-5,9H2,1H3

InChIKey

YNLWLBAHWMOFBQ-UHFFFAOYSA-N

Compound name

2-(6-methoxypyridin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 152.09496 Da
Monoisotopic Mass: 0.5
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	131.2
[M+Na]+	175.08418	139.1
[M-H]-	151.08768	133.2
[M+NH4]+	170.12878	150.7
[M+K]+	191.05812	137.4
[M+H-H2O]+	135.09222	124.5
[M+HCOO]-	197.09316	155.5
[M+CH3COO]-	211.10881	178.2
[M+Na-2H]-	173.06963	138.6
[M]+	152.09441	131.3
[M]-	152.09551	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe