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]+ 290.17508 169.1
[M+Na]+ 312.15702 172.7
[M-H]- 288.16052 173.3
[M+NH4]+ 307.20162 182.8
[M+K]+ 328.13096 170.7
[M+H-H2O]+ 272.16506 161.1
[M+HCOO]- 334.16600 184.3
[M+CH3COO]- 348.18165 200.4
[M+Na-2H]- 310.14247 170.6
[M]+ 289.16725 166.8
[M]- 289.16835 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