CID 419705

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCOC(=O)C1CCN(CC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
JYFGIESQUYQLGM-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-3-oxopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

982
Patents

261.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 160.4
[M+Na]+ 284.12572 165.5
[M-H]- 260.12922 164.8
[M+NH4]+ 279.17032 175.3
[M+K]+ 300.09966 162.8
[M+H-H2O]+ 244.13376 152.0
[M+HCOO]- 306.13470 178.8
[M+CH3COO]- 320.15035 195.6
[M+Na-2H]- 282.11117 162.4
[M]+ 261.13595 159.0
[M]- 261.13705 159.0
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