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]+ 193.072006 138.1
[M+Na]+ 215.053948 149.3
[M-H]- 191.057454 138.1
[M+NH4]+ 210.098553 155.2
[M+K]+ 231.027888 147.1
[M+H-H2O]+ 175.061990 129.5
[M+HCOO]- 237.062931 159.4
[M+CH3COO]- 251.078581 181.2
[M+Na-2H]- 213.039396 146.3
[M]+ 192.06418142 142.5
[M]- 192.06527858 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.