CID 49759221

Ethyl 1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCOC(=O)C1=CCCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C15H19NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-5,7-9H,2,6,10-12H2,1H3
InChIKey
GATVCEPLAPUOKG-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 158.1
[M+Na]+ 268.13081 171.0
[M+NH4]+ 263.17541 166.1
[M+K]+ 284.10475 163.5
[M-H]- 244.13431 161.6
[M+Na-2H]- 266.11626 165.7
[M]+ 245.14104 160.8
[M]- 245.14214 160.8
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

No patent data available for this compound.