CID 108712

1,9-dimethyluric acid

Structural Information

Molecular Formula
C7H8N4O3
SMILES
CN1C2=C(C(=O)N(C(=O)N2)C)NC1=O
InChI
InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14)
InChIKey
UARKDOLETOEBCU-UHFFFAOYSA-N
Compound name
1,9-dimethyl-3,7-dihydropurine-2,6,8-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

196.05965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06693 139.4
[M+Na]+ 219.04887 153.0
[M+NH4]+ 214.09347 144.2
[M+K]+ 235.02281 150.9
[M-H]- 195.05237 136.8
[M+Na-2H]- 217.03432 142.8
[M]+ 196.05910 140.2
[M]- 196.06020 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe