CID 71756771

Methyl 3-oxo-2h,3h-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Structural Information

Molecular Formula
C8H7N3O3
SMILES
COC(=O)C1=CN2C(=NNC2=O)C=C1
InChI
InChI=1S/C8H7N3O3/c1-14-7(12)5-2-3-6-9-10-8(13)11(6)4-5/h2-4H,1H3,(H,10,13)
InChIKey
DKKCKENBWVQKEO-UHFFFAOYSA-N
Compound name
methyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.056016 136.2
[M+Na]+ 216.037958 148.0
[M-H]- 192.041464 136.7
[M+NH4]+ 211.082563 154.2
[M+K]+ 232.011898 145.1
[M+H-H2O]+ 176.046000 129.0
[M+HCOO]- 238.046941 157.8
[M+CH3COO]- 252.062591 178.2
[M+Na-2H]- 214.023406 143.4
[M]+ 193.04819142 139.4
[M]- 193.04928858 139.4
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.