CID 57859986

Ethyl 4-chloro-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CCOC(=O)C1=C(C=C(NC1=O)C)Cl
InChI
InChI=1S/C9H10ClNO3/c1-3-14-9(13)7-6(10)4-5(2)11-8(7)12/h4H,3H2,1-2H3,(H,11,12)
InChIKey
LCAOURNJLXCNNF-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-methyl-2-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

215.03493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 139.8
[M+Na]+ 238.024148 150.6
[M-H]- 214.027654 141.6
[M+NH4]+ 233.068753 158.0
[M+K]+ 253.998088 146.7
[M+H-H2O]+ 198.032190 134.8
[M+HCOO]- 260.033131 157.1
[M+CH3COO]- 274.048781 183.3
[M+Na-2H]- 236.009596 144.0
[M]+ 215.03438142 143.7
[M]- 215.03547858 143.7
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