CID 111901

2-pyridinamine, 5-bromo-6-methyl-3-nitro-

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97162 137.5
[M+Na]+ 253.95356 149.6
[M-H]- 229.95706 142.9
[M+NH4]+ 248.99816 157.0
[M+K]+ 269.92750 134.8
[M+H-H2O]+ 213.96160 140.6
[M+HCOO]- 275.96254 160.6
[M+CH3COO]- 289.97819 184.0
[M+Na-2H]- 251.93901 146.3
[M]+ 230.96379 154.2
[M]- 230.96489 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe