CID 44607713

Tert-butyl 3-benzyl-4-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-9-15(19)14(12-18)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKey
UXRKAOUQKRGROB-UHFFFAOYSA-N
Compound name
tert-butyl 3-benzyl-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

289.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 169.3
[M+Na]+ 312.15702 174.2
[M-H]- 288.16052 173.9
[M+NH4]+ 307.20162 183.5
[M+K]+ 328.13096 171.7
[M+H-H2O]+ 272.16506 161.4
[M+HCOO]- 334.16600 185.6
[M+CH3COO]- 348.18165 200.7
[M+Na-2H]- 310.14247 171.3
[M]+ 289.16725 168.1
[M]- 289.16835 168.1
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