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 179.7
[M-H]- 318.17106 180.8
[M+NH4]+ 337.21216 189.4
[M+K]+ 358.14150 177.5
[M+H-H2O]+ 302.17560 167.9
[M+HCOO]- 364.17654 193.8
[M+CH3COO]- 378.19219 205.7
[M+Na-2H]- 340.15301 177.2
[M]+ 319.17779 177.2
[M]- 319.17889 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.