CID 263075

55482-22-9

Structural Information

Molecular Formula

C₄H₄N₄O₃

SMILES

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

InChI

InChI=1S/C4H4N4O3/c5-4-6-2(9)1(8-11)3(10)7-4/h(H4,5,6,7,9,10)

InChIKey

NXTPQVKFPBRMRH-UHFFFAOYSA-N

Compound name

2-amino-4-hydroxy-5-nitroso-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 156.02834 Da
Monoisotopic Mass: -1.3
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]+	157.03562	126.3
[M+Na]+	179.01756	136.9
[M-H]-	155.02106	126.9
[M+NH4]+	174.06216	143.5
[M+K]+	194.99150	134.8
[M+H-H2O]+	139.02560	119.4
[M+HCOO]-	201.02654	150.8
[M+CH3COO]-	215.04219	176.7
[M+Na-2H]-	177.00301	134.1
[M]+	156.02779	125.0
[M]-	156.02889	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe