CID 48935

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

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCC1CCCCN1CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO2/c1-2-9-17-12-6-7-13-19(17)14-8-15-21-18(20)16-10-4-3-5-11-16/h3-5,10-11,17H,2,6-9,12-15H2,1H3
InChIKey
KZFYCOVCKMCORB-UHFFFAOYSA-N
Compound name
3-(2-propylpiperidin-1-yl)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.211476 172.6
[M+Na]+ 312.193418 175.2
[M-H]- 288.196924 176.0
[M+NH4]+ 307.238023 186.2
[M+K]+ 328.167358 171.8
[M+H-H2O]+ 272.201460 163.4
[M+HCOO]- 334.202401 189.6
[M+CH3COO]- 348.218051 202.2
[M+Na-2H]- 310.178866 173.6
[M]+ 289.20365142 171.1
[M]- 289.20474858 171.1
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.