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

26
Patents

215.03493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 139.8
[M+Na]+ 238.02415 150.6
[M-H]- 214.02765 141.6
[M+NH4]+ 233.06875 158.0
[M+K]+ 253.99809 146.7
[M+H-H2O]+ 198.03219 134.8
[M+HCOO]- 260.03313 157.1
[M+CH3COO]- 274.04878 183.3
[M+Na-2H]- 236.00960 144.0
[M]+ 215.03438 143.7
[M]- 215.03548 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