CID 2119245

6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCCN1C(=O)C=CC(=N1)C(=O)O
InChI
InChI=1S/C8H10N2O3/c1-2-5-10-7(11)4-3-6(9-10)8(12)13/h3-4H,2,5H2,1H3,(H,12,13)
InChIKey
DJHVQCITSVMNLU-UHFFFAOYSA-N
Compound name
6-oxo-1-propylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

182.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 137.1
[M+Na]+ 205.05836 149.3
[M+NH4]+ 200.10296 143.0
[M+K]+ 221.03230 144.9
[M-H]- 181.06186 136.1
[M+Na-2H]- 203.04381 142.1
[M]+ 182.06859 138.3
[M]- 182.06969 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe