CID 84103220

1083369-17-8

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=CN2C(=NNC2=O)C=C1C(=O)O
InChI
InChI=1S/C7H5N3O3/c11-6(12)4-1-2-10-5(3-4)8-9-7(10)13/h1-3H,(H,9,13)(H,11,12)
InChIKey
SAJWHJAWXQMXCJ-UHFFFAOYSA-N
Compound name
3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0331 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04038 133.4
[M+Na]+ 202.02232 145.8
[M+NH4]+ 197.06692 139.3
[M+K]+ 217.99626 143.8
[M-H]- 178.02582 131.5
[M+Na-2H]- 200.00777 138.0
[M]+ 179.03255 134.2
[M]- 179.03365 134.2
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.