CID 47003

64050-33-5

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC1CCCCN1CCCCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO2/c1-16-10-6-8-14-19(16)13-7-3-9-15-21-18(20)17-11-4-2-5-12-17/h2,4-5,11-12,16H,3,6-10,13-15H2,1H3
InChIKey
ONEJOFKVJCCUOT-UHFFFAOYSA-N
Compound name
5-(2-methylpiperidin-1-yl)pentyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 173.0
[M+Na]+ 312.19342 184.3
[M+NH4]+ 307.23802 180.5
[M+K]+ 328.16736 176.3
[M-H]- 288.19692 176.1
[M+Na-2H]- 310.17887 178.9
[M]+ 289.20365 175.3
[M]- 289.20475 175.3
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.