CID 84048412

7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6N4O2
SMILES
C1=C(N2C(=C(C=N2)C(=O)O)N=C1)N
InChI
InChI=1S/C7H6N4O2/c8-5-1-2-9-6-4(7(12)13)3-10-11(5)6/h1-3H,8H2,(H,12,13)
InChIKey
DRODGMBGGFYJGI-UHFFFAOYSA-N
Compound name
7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04907 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.056346 133.2
[M+Na]+ 201.038288 144.4
[M-H]- 177.041794 133.4
[M+NH4]+ 196.082893 151.2
[M+K]+ 217.012228 141.4
[M+H-H2O]+ 161.046330 125.9
[M+HCOO]- 223.047271 155.2
[M+CH3COO]- 237.062921 178.9
[M+Na-2H]- 199.023736 140.5
[M]+ 178.04852142 133.8
[M]- 178.04961858 133.8
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.