CID 81100

6623-81-0

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

COC1=CNC(=O)NC1=O

InChI

InChI=1S/C5H6N2O3/c1-10-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChIKey

KELXHQACBIUYSE-UHFFFAOYSA-N

Compound name

5-methoxy-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31953
Patents: 142.03784 Da
Monoisotopic Mass: -0.8
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]+	143.04512	123.3
[M+Na]+	165.02706	133.9
[M-H]-	141.03056	122.5
[M+NH4]+	160.07166	141.2
[M+K]+	181.00100	131.2
[M+H-H2O]+	125.03510	117.2
[M+HCOO]-	187.03604	144.6
[M+CH3COO]-	201.05169	166.3
[M+Na-2H]-	163.01251	131.2
[M]+	142.03729	122.7
[M]-	142.03839	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe