CID 45788089

6-bromopyrimidin-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
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

No literature data available for this compound.

Patent stripe

patents stripe