CID 102624

41276-30-6

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCOC(=O)C1CN(CCC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
ROSZJQBQGFBFSW-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

576
Patents

261.1365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 161.3
[M+Na]+ 284.12572 173.1
[M+NH4]+ 279.17032 168.4
[M+K]+ 300.09966 166.6
[M-H]- 260.12922 163.8
[M+Na-2H]- 282.11117 167.2
[M]+ 261.13595 163.5
[M]- 261.13705 163.5
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