CID 2763453

Methyl 2-amino-5-bromonicotinate

Structural Information

Molecular Formula

C₇H₇BrN₂O₂

SMILES

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

InChI

InChI=1S/C7H7BrN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)

InChIKey

POWKBBOOIZBIRZ-UHFFFAOYSA-N

Compound name

methyl 2-amino-5-bromopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 352
Patents: 229.96909 Da
Monoisotopic Mass: 1.6
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]+	230.97637	139.1
[M+Na]+	252.95831	141.8
[M+NH4]+	248.00291	142.9
[M+K]+	268.93225	143.1
[M-H]-	228.96181	138.9
[M+Na-2H]-	250.94376	142.0
[M]+	229.96854	138.1
[M]-	229.96964	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe