CID 10261576

4-amino-5-bromopyrimidine

Structural Information

Molecular Formula
C4H4BrN3
SMILES
C1=C(C(=NC=N1)N)Br
InChI
InChI=1S/C4H4BrN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChIKey
IIFAONYUCDAVGA-UHFFFAOYSA-N
Compound name
5-bromopyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

150
Patents

172.95886 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.96614 122.5
[M+Na]+ 195.94808 135.2
[M-H]- 171.95158 126.3
[M+NH4]+ 190.99268 143.4
[M+K]+ 211.92202 124.5
[M+H-H2O]+ 155.95612 121.7
[M+HCOO]- 217.95706 144.1
[M+CH3COO]- 231.97271 177.7
[M+Na-2H]- 193.93353 133.2
[M]+ 172.95831 139.0
[M]- 172.95941 139.0
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