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]+ 199.10773 143.9
[M+Na]+ 221.08967 150.0
[M-H]- 197.09317 142.8
[M+NH4]+ 216.13427 159.6
[M+K]+ 237.06361 148.2
[M+H-H2O]+ 181.09771 136.6
[M+HCOO]- 243.09865 161.5
[M+CH3COO]- 257.11430 180.5
[M+Na-2H]- 219.07512 147.7
[M]+ 198.09990 142.7
[M]- 198.10100 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