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]+ 348.216936 185.9
[M+Na]+ 370.198878 188.4
[M-H]- 346.202384 189.4
[M+NH4]+ 365.243483 197.2
[M+K]+ 386.172818 185.8
[M+H-H2O]+ 330.206920 176.5
[M+HCOO]- 392.207861 201.8
[M+CH3COO]- 406.223511 212.9
[M+Na-2H]- 368.184326 184.2
[M]+ 347.20911142 187.0
[M]- 347.21020858 187.0
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.