CID 129916386

1378523-07-9

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CN1CCN2C(=CC(=N2)C(=O)O)C1=O
InChI
InChI=1S/C8H9N3O3/c1-10-2-3-11-6(7(10)12)4-5(9-11)8(13)14/h4H,2-3H2,1H3,(H,13,14)
InChIKey
COQPSQFVYJZSAL-UHFFFAOYSA-N
Compound name
5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

195.06439 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 140.1
[M+Na]+ 218.053608 149.7
[M-H]- 194.057114 139.7
[M+NH4]+ 213.098213 157.8
[M+K]+ 234.027548 147.4
[M+H-H2O]+ 178.061650 133.1
[M+HCOO]- 240.062591 157.2
[M+CH3COO]- 254.078241 181.0
[M+Na-2H]- 216.039056 143.5
[M]+ 195.06384142 139.5
[M]- 195.06493858 139.5
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