CID 49076

67049-56-3

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]+ 276.195816 167.8
[M+Na]+ 298.177758 171.9
[M-H]- 274.181264 171.8
[M+NH4]+ 293.222363 182.4
[M+K]+ 314.151698 168.7
[M+H-H2O]+ 258.185800 159.1
[M+HCOO]- 320.186741 185.1
[M+CH3COO]- 334.202391 200.4
[M+Na-2H]- 296.163206 168.6
[M]+ 275.18799142 166.4
[M]- 275.18908858 166.4
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.