CID 1175

Uric acid

Structural Information

Molecular Formula
C5H4N4O3
SMILES
C12=C(NC(=O)N1)NC(=O)NC2=O
InChI
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChIKey
LEHOTFFKMJEONL-UHFFFAOYSA-N
Compound name
7,9-dihydro-3H-purine-2,6,8-trione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

31678
References

28240
Patents

168.02834 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03562 130.4
[M+Na]+ 191.01756 143.6
[M-H]- 167.02106 126.2
[M+NH4]+ 186.06216 146.0
[M+K]+ 206.99150 137.4
[M+H-H2O]+ 151.02560 123.9
[M+HCOO]- 213.02654 148.0
[M+CH3COO]- 227.04219 142.8
[M+Na-2H]- 189.00301 137.6
[M]+ 168.02779 127.9
[M]- 168.02889 127.9
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.