CID 261502

52893-00-2

Structural Information

Molecular Formula
C8H8N4O3
SMILES
CCOC(=O)C1=CN=C2N=CNN2C1=O
InChI
InChI=1S/C8H8N4O3/c1-2-15-7(14)5-3-9-8-10-4-11-12(8)6(5)13/h3-4H,2H2,1H3,(H,9,10,11)
InChIKey
JPAVBMQNWIVDPU-UHFFFAOYSA-N
Compound name
ethyl 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

38
Patents

208.05965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06693 141.2
[M+Na]+ 231.04887 152.9
[M-H]- 207.05237 140.3
[M+NH4]+ 226.09347 157.1
[M+K]+ 247.02281 149.8
[M+H-H2O]+ 191.05691 133.1
[M+HCOO]- 253.05785 161.3
[M+CH3COO]- 267.07350 181.3
[M+Na-2H]- 229.03432 148.2
[M]+ 208.05910 144.8
[M]- 208.06020 144.8
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.