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]+ 180.04038 132.1
[M+Na]+ 202.02232 143.8
[M-H]- 178.02582 131.4
[M+NH4]+ 197.06692 149.8
[M+K]+ 217.99626 140.3
[M+H-H2O]+ 162.03036 125.3
[M+HCOO]- 224.03130 152.4
[M+CH3COO]- 238.04695 173.5
[M+Na-2H]- 200.00777 139.3
[M]+ 179.03255 133.2
[M]- 179.03365 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.