CID 3064217

101997-65-3

Structural Information

Molecular Formula
C20H29NO4
SMILES
CCOC(=O)C1CN(CCC1OC(=O)C2=CC=CC=C2)CCC(C)C
InChI
InChI=1S/C20H29NO4/c1-4-24-20(23)17-14-21(12-10-15(2)3)13-11-18(17)25-19(22)16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-14H2,1-3H3
InChIKey
DCWCGDWNQOFJDX-UHFFFAOYSA-N
Compound name
ethyl 4-benzoyloxy-1-(3-methylbutyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.20966 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.21694 185.5
[M+Na]+ 370.19888 187.8
[M-H]- 346.20238 189.1
[M+NH4]+ 365.24348 196.7
[M+K]+ 386.17282 185.7
[M+H-H2O]+ 330.20692 176.3
[M+HCOO]- 392.20786 200.4
[M+CH3COO]- 406.22351 213.8
[M+Na-2H]- 368.18433 182.6
[M]+ 347.20911 186.0
[M]- 347.21021 186.0
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.