CID 70577

1033-93-8

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCOC(=O)C1CN(CCC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-2-20-16(19)14-12-17(11-9-15(14)18)10-8-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKey
BHRQUXYWDFJWFB-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 164.9
[M+Na]+ 298.141348 169.6
[M-H]- 274.144854 169.2
[M+NH4]+ 293.185953 179.3
[M+K]+ 314.115288 166.7
[M+H-H2O]+ 258.149390 156.3
[M+HCOO]- 320.150331 183.0
[M+CH3COO]- 334.165981 198.6
[M+Na-2H]- 296.126796 166.4
[M]+ 275.15158142 163.9
[M]- 275.15267858 163.9
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.