CID 55264578

1029721-02-5

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1CN2C(=CC(=N2)C(=O)O)C(=O)N1
InChI
InChI=1S/C7H7N3O3/c11-6-5-3-4(7(12)13)9-10(5)2-1-8-6/h3H,1-2H2,(H,8,11)(H,12,13)
InChIKey
PGKJZAYMAPBKKA-UHFFFAOYSA-N
Compound name
4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

181.04874 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 137.1
[M+Na]+ 204.03796 146.8
[M+NH4]+ 199.08256 142.9
[M+K]+ 220.01190 145.4
[M-H]- 180.04146 134.7
[M+Na-2H]- 202.02341 139.1
[M]+ 181.04819 137.2
[M]- 181.04929 137.2
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

patents stripe