CID 974047

Ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C8H9N5O2
SMILES
CCOC(=O)C1=C(N2C(=NC=N2)N=C1)N
InChI
InChI=1S/C8H9N5O2/c1-2-15-7(14)5-3-10-8-11-4-12-13(8)6(5)9/h3-4H,2,9H2,1H3
InChIKey
WXSXMQHHGMMINY-UHFFFAOYSA-N
Compound name
ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

207.07562 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.082896 142.4
[M+Na]+ 230.064838 153.6
[M-H]- 206.068344 142.4
[M+NH4]+ 225.109443 158.6
[M+K]+ 246.038778 150.9
[M+H-H2O]+ 190.072880 133.8
[M+HCOO]- 252.073821 164.1
[M+CH3COO]- 266.089471 186.7
[M+Na-2H]- 228.050286 149.5
[M]+ 207.07507142 145.5
[M]- 207.07616858 145.5
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