CID 3060623

78219-21-3

Structural Information

Molecular Formula
C17H23NO4
SMILES
CCN1CCC(C(C1)C(=O)OCC)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO4/c1-3-18-11-10-15(14(12-18)17(20)21-4-2)22-16(19)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
InChIKey
ISDFUFYREVUCJR-UHFFFAOYSA-N
Compound name
ethyl 4-benzoyloxy-1-ethylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.3
[M+Na]+ 328.15194 176.2
[M-H]- 304.15544 176.4
[M+NH4]+ 323.19654 185.3
[M+K]+ 344.12588 174.3
[M+H-H2O]+ 288.15998 163.5
[M+HCOO]- 350.16092 189.2
[M+CH3COO]- 364.17657 204.0
[M+Na-2H]- 326.13739 172.2
[M]+ 305.16217 172.4
[M]- 305.16327 172.4
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

No patent data available for this compound.