CID 111901

68957-50-6

Structural Information

Molecular Formula

C₆H₆BrN₃O₂

SMILES

CC1=C(C=C(C(=N1)N)[N+](=O)[O-])Br

InChI

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

InChIKey

CRELZBHEKSIUDR-UHFFFAOYSA-N

Compound name

5-bromo-6-methyl-3-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 230.96434 Da
Monoisotopic Mass: 2.0
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