CID 163651

95971-56-5

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CC(C)(C)C1=CC2=NC(=O)N(C(=O)N2O1)C
InChI
InChI=1S/C10H13N3O3/c1-10(2,3)6-5-7-11-8(14)12(4)9(15)13(7)16-6/h5H,1-4H3
InChIKey
FNZZZABFKOHYSZ-UHFFFAOYSA-N
Compound name
7-tert-butyl-3-methyl-[1,2]oxazolo[2,3-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 146.8
[M+Na]+ 246.08491 160.8
[M-H]- 222.08841 150.0
[M+NH4]+ 241.12951 163.8
[M+K]+ 262.05885 159.1
[M+H-H2O]+ 206.09295 140.3
[M+HCOO]- 268.09389 167.5
[M+CH3COO]- 282.10954 188.8
[M+Na-2H]- 244.07036 154.4
[M]+ 223.09514 154.0
[M]- 223.09624 154.0
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.