PubChemLite - Uric acid (C5H4N4O3)

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

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	130.6
[M+Na]+	191.01756	142.8
[M+NH4]+	186.06216	135.1
[M+K]+	206.99150	141.4
[M-H]-	167.02106	126.9
[M+Na-2H]-	189.00301	133.8
[M]+	168.02779	130.7
[M]-	168.02889	130.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

169.03562

130.6

[M+Na]+

191.01756

142.8

[M+NH4]+

186.06216

135.1

[M+K]+

206.99150

141.4

[M-H]-

167.02106

126.9

[M+Na-2H]-

189.00301

133.8

[M]+

168.02779

130.7

[M]-

168.02889

130.7

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

Uric acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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