CID 49076

Benzoic acid, 3-(2,3-dimethylpiperidino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1CCCN(C1C)CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-14-8-6-11-18(15(14)2)12-7-13-20-17(19)16-9-4-3-5-10-16/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3
InChIKey
QUOFDIYDKDHAAJ-UHFFFAOYSA-N
Compound name
3-(2,3-dimethylpiperidin-1-yl)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.1
[M+Na]+ 298.17776 180.0
[M+NH4]+ 293.22236 175.8
[M+K]+ 314.15170 172.5
[M-H]- 274.18126 171.4
[M+Na-2H]- 296.16321 174.1
[M]+ 275.18799 170.6
[M]- 275.18909 170.6
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.