CID 66599

Violuric acid

Structural Information

Molecular Formula

C₄H₃N₃O₄

SMILES

C1(=C(NC(=O)NC1=O)O)N=O

InChI

InChI=1S/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h(H3,5,6,8,9,10)

InChIKey

HRRVLSKRYVIEPR-UHFFFAOYSA-N

Compound name

6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 48
References: 1582
Patents: 157.01236 Da
Monoisotopic Mass: -1.0
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]+	158.01964	126.4
[M+Na]+	180.00158	137.7
[M+NH4]+	175.04618	131.3
[M+K]+	195.97552	134.8
[M-H]-	156.00508	124.7
[M+Na-2H]-	177.98703	130.9
[M]+	157.01181	126.9
[M]-	157.01291	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe