CID 817312

6-tert-butylpyrimidine-2,4-diol

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC(C)(C)C1=CC(=O)NC(=O)N1
InChI
InChI=1S/C8H12N2O2/c1-8(2,3)5-4-6(11)10-7(12)9-5/h4H,1-3H3,(H2,9,10,11,12)
InChIKey
BFWDTJWBVUGSOT-UHFFFAOYSA-N
Compound name
6-tert-butyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.1
[M+Na]+ 191.07909 145.1
[M-H]- 167.08259 134.3
[M+NH4]+ 186.12369 152.3
[M+K]+ 207.05303 141.5
[M+H-H2O]+ 151.08713 129.4
[M+HCOO]- 213.08807 153.6
[M+CH3COO]- 227.10372 172.9
[M+Na-2H]- 189.06454 142.1
[M]+ 168.08932 133.6
[M]- 168.09042 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.