CID 198292

53304-46-4

Structural Information

Molecular Formula
C9H9N3O3
SMILES
C1=CC2=NN(C(=O)N2C=C1)CCC(=O)O
InChI
InChI=1S/C9H9N3O3/c13-8(14)4-6-12-9(15)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6H2,(H,13,14)
InChIKey
DXVGDKXFBVHCCE-UHFFFAOYSA-N
Compound name
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

207.06439 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 141.8
[M+Na]+ 230.05361 154.3
[M+NH4]+ 225.09821 147.7
[M+K]+ 246.02755 151.6
[M-H]- 206.05711 140.4
[M+Na-2H]- 228.03906 146.5
[M]+ 207.06384 142.8
[M]- 207.06494 142.8
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.