CID 691156

2,3-diamino-5-bromopyridine

Structural Information

Molecular Formula
C5H6BrN3
SMILES
C1=C(C=NC(=C1N)N)Br
InChI
InChI=1S/C5H6BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9)
InChIKey
YRGMYJUKFJPNPD-UHFFFAOYSA-N
Compound name
5-bromopyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1402
Patents

186.9745 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.981776 128.2
[M+Na]+ 209.963718 140.3
[M-H]- 185.967224 132.8
[M+NH4]+ 205.008323 149.3
[M+K]+ 225.937658 128.7
[M+H-H2O]+ 169.971760 127.1
[M+HCOO]- 231.972701 150.8
[M+CH3COO]- 245.988351 183.1
[M+Na-2H]- 207.949166 136.5
[M]+ 186.97395142 143.0
[M]- 186.97504858 143.0
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