CID 241332

6341-93-1

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

CC(=O)C1=CC(=O)NC(=O)N1

InChI

InChI=1S/C6H6N2O3/c1-3(9)4-2-5(10)8-6(11)7-4/h2H,1H3,(H2,7,8,10,11)

InChIKey

CKJBKWWHBKLNPB-UHFFFAOYSA-N

Compound name

6-acetyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 154.03784 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]+	155.04512	128.4
[M+Na]+	177.02706	140.5
[M+NH4]+	172.07166	134.0
[M+K]+	193.00100	136.7
[M-H]-	153.03056	126.7
[M+Na-2H]-	175.01251	133.2
[M]+	154.03729	129.2
[M]-	154.03839	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe