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-amino-2-pyridinyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
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]+	181.097146	138.3
[M+Na]+	203.079088	145.9
[M-H]-	179.082594	140.3
[M+NH4]+	198.123693	156.6
[M+K]+	219.053028	144.3
[M+H-H2O]+	163.087130	131.4
[M+HCOO]-	225.088071	161.7
[M+CH3COO]-	239.103721	182.6
[M+Na-2H]-	201.064536	143.9
[M]+	180.08932142	138.8
[M]-	180.09041858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe