CID 2366695

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

Structural Information

Molecular Formula
C6H6N2O3
SMILES
CN1C(=O)C=CC(=N1)C(=O)O
InChI
InChI=1S/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)
InChIKey
VSWNRKPYWTWWBV-UHFFFAOYSA-N
Compound name
1-methyl-6-oxopyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

211
Patents

154.03784 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 126.3
[M+Na]+ 177.02706 136.7
[M-H]- 153.03056 126.9
[M+NH4]+ 172.07166 144.3
[M+K]+ 193.00100 135.1
[M+H-H2O]+ 137.03510 119.9
[M+HCOO]- 199.03604 147.8
[M+CH3COO]- 213.05169 172.6
[M+Na-2H]- 175.01251 133.1
[M]+ 154.03729 127.3
[M]- 154.03839 127.3
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