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

3
Patents

194.04399 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.051266 136.4
[M+Na]+ 217.033208 148.1
[M-H]- 193.036714 135.7
[M+NH4]+ 212.077813 153.2
[M+K]+ 233.007148 144.2
[M+H-H2O]+ 177.041250 129.6
[M+HCOO]- 239.042191 157.2
[M+CH3COO]- 253.057841 179.3
[M+Na-2H]- 215.018656 142.4
[M]+ 194.04344142 136.2
[M]- 194.04453858 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