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: 31621
References: 106804
Patents: 168.02834 Da
Monoisotopic Mass: -1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe