CID 139597106

2206682-85-9

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
4
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]+ 199.11896 144.5
[M+Na]+ 221.10090 155.0
[M-H]- 197.10440 144.0
[M+NH4]+ 216.14550 159.7
[M+K]+ 237.07484 151.9
[M+H-H2O]+ 181.10894 137.6
[M+HCOO]- 243.10988 164.1
[M+CH3COO]- 257.12553 184.6
[M+Na-2H]- 219.08635 151.6
[M]+ 198.11113 145.0
[M]- 198.11223 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.