CID 14099

1075-59-8

Structural Information

Molecular Formula

C₅H₇N₃O₃

SMILES

COC1=NC(=NC(=O)N1)OC

InChI

InChI=1S/C5H7N3O3/c1-10-4-6-3(9)7-5(8-4)11-2/h1-2H3,(H,6,7,8,9)

InChIKey

ABWQLBWYPYHBHW-UHFFFAOYSA-N

Compound name

4,6-dimethoxy-1H-1,3,5-triazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 157.04874 Da
Monoisotopic Mass: 0.1
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]+	158.05602	129.4
[M+Na]+	180.03796	142.2
[M+NH4]+	175.08256	135.3
[M+K]+	196.01190	138.0
[M-H]-	156.04146	128.1
[M+Na-2H]-	178.02341	135.1
[M]+	157.04819	130.6
[M]-	157.04929	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe