CID 146677838

Dtxsid101021636

Structural Information

Molecular Formula
C8H9N5O2
SMILES
CCC1=NC2=NC=NN2C(=C1C(=O)O)N
InChI
InChI=1S/C8H9N5O2/c1-2-4-5(7(14)15)6(9)13-8(12-4)10-3-11-13/h3H,2,9H2,1H3,(H,14,15)
InChIKey
IAKVACUHWXCBHI-UHFFFAOYSA-N
Compound name
7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

207.07562 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.082896 143.4
[M+Na]+ 230.064838 155.0
[M-H]- 206.068344 142.4
[M+NH4]+ 225.109443 159.1
[M+K]+ 246.038778 151.5
[M+H-H2O]+ 190.072880 135.4
[M+HCOO]- 252.073821 163.6
[M+CH3COO]- 266.089471 186.2
[M+Na-2H]- 228.050286 149.2
[M]+ 207.07507142 145.2
[M]- 207.07616858 145.2
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.