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]+ 184.108046 139.4
[M+Na]+ 206.089988 150.8
[M-H]- 182.093494 138.9
[M+NH4]+ 201.134593 155.6
[M+K]+ 222.063928 147.9
[M+H-H2O]+ 166.098030 132.9
[M+HCOO]- 228.098971 158.0
[M+CH3COO]- 242.114621 179.6
[M+Na-2H]- 204.075436 146.2
[M]+ 183.10022142 140.7
[M]- 183.10131858 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.