CID 21876034

Ethyl 2-(5-aminopyridin-2-yl)acetate

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

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

InChI

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

InChIKey

PXKDDIRASPIURS-UHFFFAOYSA-N

Compound name

ethyl 2-(5-aminopyridin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 180.08987 Da
Monoisotopic Mass: 0.4
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