CID 43829306

5-bromo-2-(methylamino)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C6H6BrN3O2
SMILES
CNC1=NC=C(C(=N1)C(=O)O)Br
InChI
InChI=1S/C6H6BrN3O2/c1-8-6-9-2-3(7)4(10-6)5(11)12/h2H,1H3,(H,11,12)(H,8,9,10)
InChIKey
AQUFIBNHFBBGFD-UHFFFAOYSA-N
Compound name
5-bromo-2-(methylamino)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.96434 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97162 140.0
[M+Na]+ 253.95356 142.3
[M+NH4]+ 248.99816 143.0
[M+K]+ 269.92750 144.1
[M-H]- 229.95706 138.7
[M+Na-2H]- 251.93901 142.5
[M]+ 230.96379 138.5
[M]- 230.96489 138.5
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.