CID 44558601

1-boc-2-phenyl-piperidin-4-one

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)CC1C2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-13(18)11-14(17)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKey
UMUHNUZMXNXCMV-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-2-phenylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

275.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 164.7
[M+Na]+ 298.14135 170.1
[M-H]- 274.14485 169.5
[M+NH4]+ 293.18595 179.5
[M+K]+ 314.11529 167.8
[M+H-H2O]+ 258.14939 157.0
[M+HCOO]- 320.15033 181.3
[M+CH3COO]- 334.16598 197.7
[M+Na-2H]- 296.12680 167.2
[M]+ 275.15158 163.2
[M]- 275.15268 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