CID 352899

5-nitropyrimidin-2-ol

Structural Information

Molecular Formula

C₄H₃N₃O₃

SMILES

C1=C(C=NC(=O)N1)[N+](=O)[O-]

InChI

InChI=1S/C4H3N3O3/c8-4-5-1-3(2-6-4)7(9)10/h1-2H,(H,5,6,8)

InChIKey

ZNNRVSOVVLYQBV-UHFFFAOYSA-N

Compound name

5-nitro-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 141.01744 Da
Monoisotopic Mass: -0.7
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]+	142.02472	120.5
[M+Na]+	164.00666	129.6
[M-H]-	140.01016	121.0
[M+NH4]+	159.05126	137.9
[M+K]+	179.98060	123.8
[M+H-H2O]+	124.01470	118.6
[M+HCOO]-	186.01564	144.3
[M+CH3COO]-	200.03129	162.3
[M+Na-2H]-	161.99211	131.6
[M]+	141.01689	117.6
[M]-	141.01799	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe