CID 72206852

6-bromo-2-ethoxypyrimidin-4-amine

Structural Information

Molecular Formula
C6H8BrN3O
SMILES
CCOC1=NC(=CC(=N1)Br)N
InChI
InChI=1S/C6H8BrN3O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3,(H2,8,9,10)
InChIKey
MTZSCNINMYSGGZ-UHFFFAOYSA-N
Compound name
6-bromo-2-ethoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.98508 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.992356 134.1
[M+Na]+ 239.974298 146.7
[M-H]- 215.977804 137.9
[M+NH4]+ 235.018903 153.6
[M+K]+ 255.948238 135.9
[M+H-H2O]+ 199.982340 132.8
[M+HCOO]- 261.983281 155.2
[M+CH3COO]- 275.998931 186.4
[M+Na-2H]- 237.959746 142.9
[M]+ 216.98453142 152.9
[M]- 216.98562858 152.9
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

No patent data available for this compound.