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

1
Patents

207.06439 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 140.6
[M+Na]+ 230.053608 151.8
[M-H]- 206.057114 140.9
[M+NH4]+ 225.098213 157.9
[M+K]+ 246.027548 148.7
[M+H-H2O]+ 190.061650 133.1
[M+HCOO]- 252.062591 161.7
[M+CH3COO]- 266.078241 181.9
[M+Na-2H]- 228.039056 147.2
[M]+ 207.06384142 144.2
[M]- 207.06493858 144.2
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

patents stripe