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
4
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 139.4
[M+Na]+ 206.08999 150.8
[M-H]- 182.09349 138.9
[M+NH4]+ 201.13459 155.6
[M+K]+ 222.06393 147.9
[M+H-H2O]+ 166.09803 132.9
[M+HCOO]- 228.09897 158.0
[M+CH3COO]- 242.11462 179.6
[M+Na-2H]- 204.07544 146.2
[M]+ 183.10022 140.7
[M]- 183.10132 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.