CID 40299

52236-30-3

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC(C)(C)C1=NNC(=O)NC1=O

InChI

InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)

InChIKey

ZARIFGFXSIZTAK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 6
Patents: 169.08513 Da
Monoisotopic Mass: 1.2
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]+	170.09241	135.4
[M+Na]+	192.07435	147.5
[M+NH4]+	187.11895	140.7
[M+K]+	208.04829	143.7
[M-H]-	168.07785	133.2
[M+Na-2H]-	190.05980	140.2
[M]+	169.08458	136.2
[M]-	169.08568	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe