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]+ 231.97162 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

No literature data available for this compound.

Patent stripe

patents stripe