CID 20526783

6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O3
SMILES
CC1=CC(=O)C(=NN1)C(=O)O
InChI
InChI=1S/C6H6N2O3/c1-3-2-4(9)5(6(10)11)8-7-3/h2H,1H3,(H,7,9)(H,10,11)
InChIKey
RGNVUHJJYMULLH-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-1H-pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

154.03784 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 127.4
[M+Na]+ 177.02706 137.4
[M-H]- 153.03056 126.6
[M+NH4]+ 172.07166 144.7
[M+K]+ 193.00100 134.9
[M+H-H2O]+ 137.03510 121.2
[M+HCOO]- 199.03604 147.4
[M+CH3COO]- 213.05169 170.1
[M+Na-2H]- 175.01251 133.6
[M]+ 154.03729 126.6
[M]- 154.03839 126.6
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