CID 167741435

3-formylpyrazolo[1,5-b]pyridazine-2-carboxylic acid

Structural Information

Molecular Formula
C8H5N3O3
SMILES
C1=CC2=C(C(=NN2N=C1)C(=O)O)C=O
InChI
InChI=1S/C8H5N3O3/c12-4-5-6-2-1-3-9-11(6)10-7(5)8(13)14/h1-4H,(H,13,14)
InChIKey
VUPLRFQXBCGDOA-UHFFFAOYSA-N
Compound name
3-formylpyrazolo[1,5-b]pyridazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0331 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04038 135.5
[M+Na]+ 214.02232 147.3
[M-H]- 190.02582 136.0
[M+NH4]+ 209.06692 153.4
[M+K]+ 229.99626 144.4
[M+H-H2O]+ 174.03036 128.3
[M+HCOO]- 236.03130 157.1
[M+CH3COO]- 250.04695 178.8
[M+Na-2H]- 212.00777 142.7
[M]+ 191.03255 138.8
[M]- 191.03365 138.8
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.