CID 582098

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

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
6
Annotation Hits

2
References

85
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

patents stripe