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

literature stripe

Patent stripe

patents stripe