CID 73828

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

Structural Information

Molecular Formula

C₆H₅Cl₂N₃O₂

SMILES

COC(=O)C1=C(N=C(C(=N1)Cl)Cl)N

InChI

InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)

InChIKey

USYMCUGEGUFUBI-UHFFFAOYSA-N

Compound name

methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 336
Patents: 220.97588 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]+	221.98316	139.7
[M+Na]+	243.96510	153.3
[M+NH4]+	239.00970	146.8
[M+K]+	259.93904	147.9
[M-H]-	219.96860	140.0
[M+Na-2H]-	241.95055	145.5
[M]+	220.97533	142.1
[M]-	220.97643	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe