CID 12803496

2-amino-4-bromopyrimidine

Structural Information

Molecular Formula
C4H4BrN3
SMILES
C1=CN=C(N=C1Br)N
InChI
InChI=1S/C4H4BrN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)
InChIKey
MINURGGJJKMQQQ-UHFFFAOYSA-N
Compound name
4-bromopyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

172.95886 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.966136 122.5
[M+Na]+ 195.948078 135.2
[M-H]- 171.951584 126.3
[M+NH4]+ 190.992683 143.4
[M+K]+ 211.922018 124.5
[M+H-H2O]+ 155.956120 121.7
[M+HCOO]- 217.957061 144.1
[M+CH3COO]- 231.972711 177.7
[M+Na-2H]- 193.933526 133.2
[M]+ 172.95831142 139.0
[M]- 172.95940858 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