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
2
Annotation Hits

0
References

56
Patents

230.96434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.971616 137.5
[M+Na]+ 253.953558 149.6
[M-H]- 229.957064 142.9
[M+NH4]+ 248.998163 157.0
[M+K]+ 269.927498 134.8
[M+H-H2O]+ 213.961600 140.6
[M+HCOO]- 275.962541 160.6
[M+CH3COO]- 289.978191 184.0
[M+Na-2H]- 251.939006 146.3
[M]+ 230.96379142 154.3
[M]- 230.96488858 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