CID 69236672

Pyrazolo[1,5-b]pyridazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CC2=CC(=NN2N=C1)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)6-4-5-2-1-3-8-10(5)9-6/h1-4H,(H,11,12)
InChIKey
MBNHKOIUMZSIDB-UHFFFAOYSA-N
Compound name
pyrazolo[1,5-b]pyridazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

163.03818 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.045456 129.1
[M+Na]+ 186.027398 140.2
[M-H]- 162.030904 129.3
[M+NH4]+ 181.072003 148.0
[M+K]+ 202.001338 137.6
[M+H-H2O]+ 146.035440 121.8
[M+HCOO]- 208.036381 150.6
[M+CH3COO]- 222.052031 143.0
[M+Na-2H]- 184.012846 137.5
[M]+ 163.03763142 130.9
[M]- 163.03872858 130.9
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