CID 150678861

2408962-49-0

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=CN2C(=C(C=N2)C(=O)O)C(=O)N1
InChI
InChI=1S/C7H5N3O3/c11-6-5-4(7(12)13)3-9-10(5)2-1-8-6/h1-3H,(H,8,11)(H,12,13)
InChIKey
JHLGEVQJFVIXLY-UHFFFAOYSA-N
Compound name
4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0331 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.040376 132.1
[M+Na]+ 202.022318 143.8
[M-H]- 178.025824 131.4
[M+NH4]+ 197.066923 149.8
[M+K]+ 217.996258 140.3
[M+H-H2O]+ 162.030360 125.3
[M+HCOO]- 224.031301 152.4
[M+CH3COO]- 238.046951 173.5
[M+Na-2H]- 200.007766 139.3
[M]+ 179.03255142 133.2
[M]- 179.03364858 133.2
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.