CID 126992473

1805559-39-0

Structural Information

Molecular Formula

C₈H₉BrN₂O₂

SMILES

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

InChI

InChI=1S/C8H9BrN2O2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2,10H2,1H3

InChIKey

GMFNFNQPUQHWDB-UHFFFAOYSA-N

Compound name

ethyl 5-amino-6-bromopyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.98474 Da
Monoisotopic Mass: 1.7
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]+	244.992016	142.1
[M+Na]+	266.973958	153.7
[M-H]-	242.977464	147.0
[M+NH4]+	262.018563	161.6
[M+K]+	282.947898	143.0
[M+H-H2O]+	226.982000	140.9
[M+HCOO]-	288.982941	163.1
[M+CH3COO]-	302.998591	190.8
[M+Na-2H]-	264.959406	148.5
[M]+	243.98419142	161.0
[M]-	243.98528858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.