CID 53485735

5-bromopyridine-2,4-diamine

Structural Information

Molecular Formula
C5H6BrN3
SMILES
C1=C(C(=CN=C1N)Br)N
InChI
InChI=1S/C5H6BrN3/c6-3-2-9-5(8)1-4(3)7/h1-2H,(H4,7,8,9)
InChIKey
GNOTUWYODYTQCO-UHFFFAOYSA-N
Compound name
5-bromopyridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe