CID 167724267

Sodium 5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylate

Structural Information

Molecular Formula
C6H8N4O2
SMILES
C1CN2C=NN=C2C(N1)C(=O)O
InChI
InChI=1S/C6H8N4O2/c11-6(12)4-5-9-8-3-10(5)2-1-7-4/h3-4,7H,1-2H2,(H,11,12)
InChIKey
GQMJMMWYSXWQDZ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06473 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07201 134.7
[M+Na]+ 191.05395 144.4
[M+NH4]+ 186.09855 140.6
[M+K]+ 207.02789 142.9
[M-H]- 167.05745 132.1
[M+Na-2H]- 189.03940 137.3
[M]+ 168.06418 134.8
[M]- 168.06528 134.8
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.