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]+ 217.99236 134.1
[M+Na]+ 239.97430 146.7
[M-H]- 215.97780 137.9
[M+NH4]+ 235.01890 153.6
[M+K]+ 255.94824 135.9
[M+H-H2O]+ 199.98234 132.8
[M+HCOO]- 261.98328 155.2
[M+CH3COO]- 275.99893 186.4
[M+Na-2H]- 237.95975 142.9
[M]+ 216.98453 152.9
[M]- 216.98563 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.