CID 79822922

Ethyl [1,2,4]triazolo[4,3-c]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CCOC(=O)C1=NN=C2N1C=NC=C2
InChI
InChI=1S/C8H8N4O2/c1-2-14-8(13)7-11-10-6-3-4-9-5-12(6)7/h3-5H,2H2,1H3
InChIKey
AHLRKGHZGPPDCM-UHFFFAOYSA-N
Compound name
ethyl [1,2,4]triazolo[4,3-c]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07201 138.4
[M+Na]+ 215.05395 151.6
[M+NH4]+ 210.09855 144.8
[M+K]+ 231.02789 148.3
[M-H]- 191.05745 137.3
[M+Na-2H]- 213.03940 144.4
[M]+ 192.06418 139.7
[M]- 192.06528 139.7
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.