CID 49081

Gamma-3-carbethoxypiperidinopropylbenzoate hydrochloride

Structural Information

Molecular Formula
C18H25NO4
SMILES
CCOC(=O)C1CCCN(C1)CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H25NO4/c1-2-22-18(21)16-10-6-11-19(14-16)12-7-13-23-17(20)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKey
CUQRGCSQGXYYQR-UHFFFAOYSA-N
Compound name
ethyl 1-(3-benzoyloxypropyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.185616 177.3
[M+Na]+ 342.167558 179.7
[M-H]- 318.171064 180.8
[M+NH4]+ 337.212163 189.4
[M+K]+ 358.141498 177.5
[M+H-H2O]+ 302.175600 167.9
[M+HCOO]- 364.176541 193.8
[M+CH3COO]- 378.192191 205.7
[M+Na-2H]- 340.153006 177.2
[M]+ 319.17779142 177.2
[M]- 319.17888858 177.2
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.