CID 137945108

1824093-84-6

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)(C)OC(=O)N1CC(CC(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-13(9-14(18)11-17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKey
QFUPBQQHSZSANF-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-5-phenylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

275.15213 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 164.9
[M+Na]+ 298.14135 176.3
[M+NH4]+ 293.18595 171.7
[M+K]+ 314.11529 170.9
[M-H]- 274.14485 166.9
[M+Na-2H]- 296.12680 170.7
[M]+ 275.15158 167.0
[M]- 275.15268 167.0
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