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

6
Patents

217.9327 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.939976 129.6
[M+Na]+ 240.921918 142.6
[M-H]- 216.925424 131.6
[M+NH4]+ 235.966523 148.0
[M+K]+ 256.895858 131.3
[M+H-H2O]+ 200.929960 129.4
[M+HCOO]- 262.930901 147.6
[M+CH3COO]- 276.946551 178.1
[M+Na-2H]- 238.907366 137.6
[M]+ 217.93215142 147.1
[M]- 217.93324858 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