CID 586559

Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Structural Information

Molecular Formula
C9H13NO3
SMILES
CCOC(=O)C1=C(NC(=O)CC1)C
InChI
InChI=1S/C9H13NO3/c1-3-13-9(12)7-4-5-8(11)10-6(7)2/h3-5H2,1-2H3,(H,10,11)
InChIKey
XGEZXMADLSVPPY-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

183.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 138.6
[M+Na]+ 206.07876 145.7
[M-H]- 182.08226 139.4
[M+NH4]+ 201.12336 156.7
[M+K]+ 222.05270 144.1
[M+H-H2O]+ 166.08680 132.6
[M+HCOO]- 228.08774 157.6
[M+CH3COO]- 242.10339 178.9
[M+Na-2H]- 204.06421 141.8
[M]+ 183.08899 137.3
[M]- 183.09009 137.3
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