CID 10015811

Tert-butyl 4-phenylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKey
FPJWVSRNJVENGQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-phenylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

261.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.5
[M+Na]+ 284.16210 167.7
[M-H]- 260.16560 167.8
[M+NH4]+ 279.20670 178.7
[M+K]+ 300.13604 165.3
[M+H-H2O]+ 244.17014 155.6
[M+HCOO]- 306.17108 179.7
[M+CH3COO]- 320.18673 195.3
[M+Na-2H]- 282.14755 166.5
[M]+ 261.17233 160.8
[M]- 261.17343 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe