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]+ 320.18562 177.3
[M+Na]+ 342.16756 187.3
[M+NH4]+ 337.21216 183.2
[M+K]+ 358.14150 181.3
[M-H]- 318.17106 178.9
[M+Na-2H]- 340.15301 181.9
[M]+ 319.17779 178.8
[M]- 319.17889 178.8
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.