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 138.1
[M+Na]+ 215.05395 149.3
[M-H]- 191.05745 138.1
[M+NH4]+ 210.09855 155.2
[M+K]+ 231.02789 147.1
[M+H-H2O]+ 175.06199 129.5
[M+HCOO]- 237.06293 159.4
[M+CH3COO]- 251.07858 181.2
[M+Na-2H]- 213.03940 146.3
[M]+ 192.06418 142.5
[M]- 192.06528 142.5
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.