CID 7213207

2-amino-5-bromo-4-methyl-3-nitropyridine

Structural Information

Molecular Formula

C₆H₆BrN₃O₂

SMILES

CC1=C(C(=NC=C1Br)N)[N+](=O)[O-]

InChI

InChI=1S/C6H6BrN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)

InChIKey

KFVGEPWMVKZPND-UHFFFAOYSA-N

Compound name

5-bromo-4-methyl-3-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 217
Patents: 230.96434 Da
Monoisotopic Mass: 1.9
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]+	231.97162	141.9
[M+Na]+	253.95356	145.5
[M+NH4]+	248.99816	146.1
[M+K]+	269.92750	148.5
[M-H]-	229.95706	143.3
[M+Na-2H]-	251.93901	144.6
[M]+	230.96379	141.5
[M]-	230.96489	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe