CID 7210833

Ethyl 6-amino-5-bromonicotinate

Structural Information

Molecular Formula

C₈H₉BrN₂O₂

SMILES

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

InChI

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

InChIKey

WFPSELYOOKTXKC-UHFFFAOYSA-N

Compound name

ethyl 6-amino-5-bromopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 243.98474 Da
Monoisotopic Mass: 1.4
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]+	244.99202	142.1
[M+Na]+	266.97396	153.7
[M-H]-	242.97746	147.0
[M+NH4]+	262.01856	161.6
[M+K]+	282.94790	143.0
[M+H-H2O]+	226.98200	140.9
[M+HCOO]-	288.98294	163.1
[M+CH3COO]-	302.99859	190.8
[M+Na-2H]-	264.95941	148.5
[M]+	243.98419	161.0
[M]-	243.98529	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe