CID 2734424

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

Structural Information

Molecular Formula
C6H6BrN3O2
SMILES
CC1=C(C(=NC=C1[N+](=O)[O-])N)Br
InChI
InChI=1S/C6H6BrN3O2/c1-3-4(10(11)12)2-9-6(8)5(3)7/h2H,1H3,(H2,8,9)
InChIKey
ZIVNKACVCVSAEO-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

230.96434 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe