CID 139597106

Dtxsid401017806

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CC(C)(C)NC1=NC(=O)N(C(=O)N1)C
InChI
InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)
InChIKey
SKWILWLBILDCEB-UHFFFAOYSA-N
Compound name
6-(tert-butylamino)-3-methyl-1H-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

0
Patents

198.11168 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.118956 144.5
[M+Na]+ 221.100898 155.0
[M-H]- 197.104404 144.0
[M+NH4]+ 216.145503 159.7
[M+K]+ 237.074838 151.9
[M+H-H2O]+ 181.108940 137.6
[M+HCOO]- 243.109881 164.1
[M+CH3COO]- 257.125531 184.6
[M+Na-2H]- 219.086346 151.6
[M]+ 198.11113142 145.0
[M]- 198.11222858 145.0
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.