CID 13060163

Ethyl 2-(6-aminopyridin-2-yl)acetate

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CCOC(=O)CC1=NC(=CC=C1)N

InChI

InChI=1S/C9H12N2O2/c1-2-13-9(12)6-7-4-3-5-8(10)11-7/h3-5H,2,6H2,1H3,(H2,10,11)

InChIKey

AJIPGVQKXQFJNX-UHFFFAOYSA-N

Compound name

ethyl 2-(6-aminopyridin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 180.08987 Da
Monoisotopic Mass: 0.7
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]+	181.09715	138.4
[M+Na]+	203.07909	149.7
[M+NH4]+	198.12369	145.6
[M+K]+	219.05303	144.5
[M-H]-	179.08259	139.6
[M+Na-2H]-	201.06454	144.3
[M]+	180.08932	140.1
[M]-	180.09042	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe