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
2
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]+ 208.08290 143.4
[M+Na]+ 230.06484 155.0
[M-H]- 206.06834 142.4
[M+NH4]+ 225.10944 159.1
[M+K]+ 246.03878 151.5
[M+H-H2O]+ 190.07288 135.4
[M+HCOO]- 252.07382 163.6
[M+CH3COO]- 266.08947 186.2
[M+Na-2H]- 228.05029 149.2
[M]+ 207.07507 145.2
[M]- 207.07617 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.