CID 139597042

Dtxsid401028667

Structural Information

Molecular Formula

C₇H₁₀N₄O₃

SMILES

CC1(C(N2C(=NC(=O)NC2=O)N1)O)C

InChI

InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)

InChIKey

SDFNUIRNRULFGI-UHFFFAOYSA-N

Compound name

6-hydroxy-7,7-dimethyl-6,8-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 0
Patents: 198.07529 Da
Monoisotopic Mass: -1.0
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]+	199.082566	141.0
[M+Na]+	221.064508	153.4
[M-H]-	197.068014	137.8
[M+NH4]+	216.109113	158.4
[M+K]+	237.038448	148.9
[M+H-H2O]+	181.072550	134.9
[M+HCOO]-	243.073491	156.5
[M+CH3COO]-	257.089141	176.1
[M+Na-2H]-	219.049956	146.4
[M]+	198.07474142	139.8
[M]-	198.07583858	139.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.