CID 582098

6-(tert-butylamino)-1h-1,3,5-triazine-2,4-dione

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CC(C)(C)NC1=NC(=O)NC(=O)N1
InChI
InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)
InChIKey
RMGNIWIYFYKTDC-UHFFFAOYSA-N
Compound name
6-(tert-butylamino)-1H-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

0
Patents

184.09602 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10330 140.9
[M+Na]+ 207.08524 150.3
[M-H]- 183.08874 138.7
[M+NH4]+ 202.12984 155.6
[M+K]+ 223.05918 146.7
[M+H-H2O]+ 167.09328 134.0
[M+HCOO]- 229.09422 159.3
[M+CH3COO]- 243.10987 177.9
[M+Na-2H]- 205.07069 148.6
[M]+ 184.09547 138.7
[M]- 184.09657 138.7
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.