CID 129977812

3-methyl-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H6N4O2
SMILES
CC1=NN=C2N1C=CN=C2C(=O)O
InChI
InChI=1S/C7H6N4O2/c1-4-9-10-6-5(7(12)13)8-2-3-11(4)6/h2-3H,1H3,(H,12,13)
InChIKey
OJKRMLCUAYSGQQ-UHFFFAOYSA-N
Compound name
3-methyl-[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

178.04907 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.056346 134.3
[M+Na]+ 201.038288 146.4
[M-H]- 177.041794 133.5
[M+NH4]+ 196.082893 151.5
[M+K]+ 217.012228 143.5
[M+H-H2O]+ 161.046330 126.5
[M+HCOO]- 223.047271 154.4
[M+CH3COO]- 237.062921 147.7
[M+Na-2H]- 199.023736 141.8
[M]+ 178.04852142 137.0
[M]- 178.04961858 137.0
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.