CID 261502

89977-78-6

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

47
Patents

208.05965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.066926 141.2
[M+Na]+ 231.048868 152.9
[M-H]- 207.052374 140.3
[M+NH4]+ 226.093473 157.1
[M+K]+ 247.022808 149.8
[M+H-H2O]+ 191.056910 133.1
[M+HCOO]- 253.057851 161.3
[M+CH3COO]- 267.073501 181.3
[M+Na-2H]- 229.034316 148.2
[M]+ 208.05910142 144.8
[M]- 208.06019858 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

literature stripe

Patent stripe

patents stripe