CID 3060631

78219-25-7

Structural Information

Molecular Formula
C18H25NO4
SMILES
CCOC(=O)C1CN(CCC1OC(=O)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C18H25NO4/c1-4-22-18(21)15-12-19(13(2)3)11-10-16(15)23-17(20)14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3
InChIKey
MUMRDHWJJPODCF-UHFFFAOYSA-N
Compound name
ethyl 4-benzoyloxy-1-propan-2-ylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.185616 176.4
[M+Na]+ 342.167558 179.5
[M-H]- 318.171064 180.4
[M+NH4]+ 337.212163 188.8
[M+K]+ 358.141498 178.0
[M+H-H2O]+ 302.175600 167.6
[M+HCOO]- 364.176541 192.0
[M+CH3COO]- 378.192191 207.9
[M+Na-2H]- 340.153006 174.6
[M]+ 319.17779142 176.2
[M]- 319.17888858 176.2
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.