CID 16106426

Sodium 7-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=CNN2C1=NC=C(C2=O)C(=O)O
InChI
InChI=1S/C7H5N3O3/c11-6-4(7(12)13)3-8-5-1-2-9-10(5)6/h1-3,9H,(H,12,13)
InChIKey
BUHKSVAVVBZSKM-UHFFFAOYSA-N
Compound name
7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

179.0331 Da
Monoisotopic Mass

-0.1
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

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Patent stripe

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