CID 137945108

Tert-butyl 3-oxo-5-phenylpiperidine-1-carboxylate

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

6
Patents

275.15213 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 164.7
[M+Na]+ 298.141348 170.1
[M-H]- 274.144854 169.5
[M+NH4]+ 293.185953 179.5
[M+K]+ 314.115288 167.8
[M+H-H2O]+ 258.149390 157.0
[M+HCOO]- 320.150331 181.3
[M+CH3COO]- 334.165981 197.7
[M+Na-2H]- 296.126796 167.2
[M]+ 275.15158142 163.2
[M]- 275.15267858 163.2
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