CID 135703386

5-bromo-6-hydroxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H3BrN2O3
SMILES
C1=NC(=C(C(=O)N1)Br)C(=O)O
InChI
InChI=1S/C5H3BrN2O3/c6-2-3(5(10)11)7-1-8-4(2)9/h1H,(H,10,11)(H,7,8,9)
InChIKey
AUWJWPVYZWQTJV-UHFFFAOYSA-N
Compound name
5-bromo-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.9327 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.93998 129.6
[M+Na]+ 240.92192 142.6
[M-H]- 216.92542 131.6
[M+NH4]+ 235.96652 148.0
[M+K]+ 256.89586 131.3
[M+H-H2O]+ 200.92996 129.4
[M+HCOO]- 262.93090 147.6
[M+CH3COO]- 276.94655 178.1
[M+Na-2H]- 238.90737 137.6
[M]+ 217.93215 147.1
[M]- 217.93325 147.1
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