CID 3064272

102071-00-1

Structural Information

Molecular Formula
C20H29NO4
SMILES
CCCCCN1CCC(C(C1)C(=O)OCC)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H29NO4/c1-3-5-9-13-21-14-12-18(17(15-21)20(23)24-4-2)25-19(22)16-10-7-6-8-11-16/h6-8,10-11,17-18H,3-5,9,12-15H2,1-2H3
InChIKey
UTNXFRQMEOXMNY-UHFFFAOYSA-N
Compound name
ethyl 4-benzoyloxy-1-pentylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.21694 185.7
[M+Na]+ 370.19888 195.6
[M+NH4]+ 365.24348 191.2
[M+K]+ 386.17282 189.4
[M-H]- 346.20238 187.3
[M+Na-2H]- 368.18433 189.5
[M]+ 347.20911 187.2
[M]- 347.21021 187.2
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.