CID 72207402

1363383-38-3

Structural Information

Molecular Formula

C₇H₇BrN₂O₂

SMILES

COC(=O)C1=CC(=NC=C1N)Br

InChI

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

InChIKey

UZEMVZOYYXPGSQ-UHFFFAOYSA-N

Compound name

methyl 5-amino-2-bromopyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.