CID 231310

2-amino-5-bromopyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1898
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 126.2
[M+Na]+ 195.94808 129.9
[M+NH4]+ 190.99268 131.0
[M+K]+ 211.92202 130.3
[M-H]- 171.95158 126.5
[M+Na-2H]- 193.93353 130.8
[M]+ 172.95831 125.5
[M]- 172.95941 125.5
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