CID 18319921

1-boc-2-benzylpiperidin-4-one

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)CC1CC2=CC=CC=C2
InChI
InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-9-15(19)12-14(18)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKey
LQBXEVOJCOQNTJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-benzyl-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
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

No literature data available for this compound.

Patent stripe

patents stripe