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]+ 320.18562 176.4
[M+Na]+ 342.16756 179.5
[M-H]- 318.17106 180.4
[M+NH4]+ 337.21216 188.8
[M+K]+ 358.14150 178.0
[M+H-H2O]+ 302.17560 167.6
[M+HCOO]- 364.17654 192.0
[M+CH3COO]- 378.19219 207.9
[M+Na-2H]- 340.15301 174.6
[M]+ 319.17779 176.2
[M]- 319.17889 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.