CID 61373908

1289041-10-6

Structural Information

Molecular Formula

C₉H₁₁BrN₂O₂

SMILES

CCOC(=O)CNC1=C(C=CC=N1)Br

InChI

InChI=1S/C9H11BrN2O2/c1-2-14-8(13)6-12-9-7(10)4-3-5-11-9/h3-5H,2,6H2,1H3,(H,11,12)

InChIKey

TXSKQSRRNHZQES-UHFFFAOYSA-N

Compound name

ethyl 2-[(3-bromopyridin-2-yl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0004 Da
Monoisotopic Mass: 2.1
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]+	259.00768	146.1
[M+Na]+	280.98962	156.4
[M-H]-	256.99312	150.9
[M+NH4]+	276.03422	165.0
[M+K]+	296.96356	145.9
[M+H-H2O]+	240.99766	144.6
[M+HCOO]-	302.99860	167.4
[M+CH3COO]-	317.01425	193.1
[M+Na-2H]-	278.97507	153.7
[M]+	257.99985	166.0
[M]-	258.00095	166.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.