CID 10827307

Tert-butyl 4-benzoylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKey
ITLCXSHKUNNAHG-UHFFFAOYSA-N
Compound name
tert-butyl 4-benzoylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

289.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 169.1
[M+Na]+ 312.157018 172.7
[M-H]- 288.160524 173.3
[M+NH4]+ 307.201623 182.8
[M+K]+ 328.130958 170.7
[M+H-H2O]+ 272.165060 161.1
[M+HCOO]- 334.166001 184.3
[M+CH3COO]- 348.181651 200.4
[M+Na-2H]- 310.142466 170.6
[M]+ 289.16725142 166.8
[M]- 289.16834858 166.8
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