CID 139595187

Dtxsid401028386

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CC(C)(C)C1=NNC(=O)N(C1=O)C

InChI

InChI=1S/C8H13N3O2/c1-8(2,3)5-6(12)11(4)7(13)10-9-5/h1-4H3,(H,10,13)

InChIKey

HAMOEZWHUZLDGI-UHFFFAOYSA-N

Compound name

6-tert-butyl-4-methyl-2H-1,2,4-triazine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 183.10077 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]+	184.10805	139.4
[M+Na]+	206.08999	152.2
[M+NH4]+	201.13459	145.0
[M+K]+	222.06393	148.1
[M-H]-	182.09349	137.8
[M+Na-2H]-	204.07544	144.4
[M]+	183.10022	140.6
[M]-	183.10132	140.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.