CID 91851

5797-96-6

Structural Information

Molecular Formula
C9H10N4O3
SMILES
CCOC(=O)C1=NC2=NC(=CC(=O)N2N1)C
InChI
InChI=1S/C9H10N4O3/c1-3-16-8(15)7-11-9-10-5(2)4-6(14)13(9)12-7/h4H,3H2,1-2H3,(H,10,11,12)
InChIKey
SJSCJJCPAPBJBE-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

222.07529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.082566 146.0
[M+Na]+ 245.064508 158.3
[M-H]- 221.068014 145.4
[M+NH4]+ 240.109113 161.7
[M+K]+ 261.038448 154.9
[M+H-H2O]+ 205.072550 138.1
[M+HCOO]- 267.073491 165.8
[M+CH3COO]- 281.089141 185.5
[M+Na-2H]- 243.049956 151.7
[M]+ 222.07474142 150.4
[M]- 222.07583858 150.4
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.