CID 136257497

7-amino-5-oxo-4h,5h-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H6N4O3
SMILES
C1=C(N2C(=CC(=N2)C(=O)O)NC1=O)N
InChI
InChI=1S/C7H6N4O3/c8-4-2-6(12)9-5-1-3(7(13)14)10-11(4)5/h1-2H,8H2,(H,9,12)(H,13,14)
InChIKey
QCSJVQUKVBBGCI-UHFFFAOYSA-N
Compound name
7-amino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

194.04399 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05127 136.4
[M+Na]+ 217.03321 148.1
[M-H]- 193.03671 135.7
[M+NH4]+ 212.07781 153.2
[M+K]+ 233.00715 144.2
[M+H-H2O]+ 177.04125 129.6
[M+HCOO]- 239.04219 157.2
[M+CH3COO]- 253.05784 179.3
[M+Na-2H]- 215.01866 142.4
[M]+ 194.04344 136.2
[M]- 194.04454 136.2
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