CID 487261

Ethyl 3-(6-oxo-4,5-dihydro-1h-pyridazin-3-yl)propanoate

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CCOC(=O)CCC1=NNC(=O)CC1
InChI
InChI=1S/C9H14N2O3/c1-2-14-9(13)6-4-7-3-5-8(12)11-10-7/h2-6H2,1H3,(H,11,12)
InChIKey
IRNDVUHBSWQZFJ-UHFFFAOYSA-N
Compound name
ethyl 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.10045 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 143.9
[M+Na]+ 221.089668 150.0
[M-H]- 197.093174 142.8
[M+NH4]+ 216.134273 159.6
[M+K]+ 237.063608 148.2
[M+H-H2O]+ 181.097710 136.6
[M+HCOO]- 243.098651 161.5
[M+CH3COO]- 257.114301 180.5
[M+Na-2H]- 219.075116 147.7
[M]+ 198.09990142 142.7
[M]- 198.10099858 142.7
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