CID 55280232

5-bromo-4-hydrazinylpyrimidine

Structural Information

Molecular Formula
C4H5BrN4
SMILES
C1=C(C(=NC=N1)NN)Br
InChI
InChI=1S/C4H5BrN4/c5-3-1-7-2-8-4(3)9-6/h1-2H,6H2,(H,7,8,9)
InChIKey
CGJWBORAUALYIH-UHFFFAOYSA-N
Compound name
(5-bromopyrimidin-4-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.96976 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.977036 125.5
[M+Na]+ 210.958978 137.2
[M-H]- 186.962484 129.2
[M+NH4]+ 206.003583 145.4
[M+K]+ 226.932918 126.1
[M+H-H2O]+ 170.967020 123.8
[M+HCOO]- 232.967961 148.0
[M+CH3COO]- 246.983611 182.4
[M+Na-2H]- 208.944426 136.4
[M]+ 187.96921142 141.2
[M]- 187.97030858 141.2
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