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

168
Patents

172.95886 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe