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

9
Patents

186.9745 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 128.2
[M+Na]+ 209.96372 140.3
[M-H]- 185.96722 132.8
[M+NH4]+ 205.00832 149.3
[M+K]+ 225.93766 128.7
[M+H-H2O]+ 169.97176 127.1
[M+HCOO]- 231.97270 150.8
[M+CH3COO]- 245.98835 183.1
[M+Na-2H]- 207.94917 136.5
[M]+ 186.97395 143.0
[M]- 186.97505 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