CID 71758069

3-oxo-2h,3h,5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O3
SMILES
C1CC2=NNC(=O)N2CC1C(=O)O
InChI
InChI=1S/C7H9N3O3/c11-6(12)4-1-2-5-8-9-7(13)10(5)3-4/h4H,1-3H2,(H,9,13)(H,11,12)
InChIKey
NGYYYNPZWSICGP-UHFFFAOYSA-N
Compound name
3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

183.06439 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 136.7
[M+Na]+ 206.05361 145.4
[M-H]- 182.05711 134.7
[M+NH4]+ 201.09821 153.9
[M+K]+ 222.02755 142.5
[M+H-H2O]+ 166.06165 129.8
[M+HCOO]- 228.06259 152.7
[M+CH3COO]- 242.07824 174.4
[M+Na-2H]- 204.03906 140.9
[M]+ 183.06384 133.5
[M]- 183.06494 133.5
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