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 157.5
[M+Na]+ 268.13081 162.5
[M-H]- 244.13431 161.9
[M+NH4]+ 263.17541 173.0
[M+K]+ 284.10475 159.6
[M+H-H2O]+ 228.13885 148.9
[M+HCOO]- 290.13979 177.0
[M+CH3COO]- 304.15544 192.8
[M+Na-2H]- 266.11626 161.1
[M]+ 245.14104 156.3
[M]- 245.14214 156.3
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.