CID 47002

64050-32-4

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC1CCCCN1CCCCCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H29NO2/c1-17-11-7-9-15-20(17)14-8-2-3-10-16-22-19(21)18-12-5-4-6-13-18/h4-6,12-13,17H,2-3,7-11,14-16H2,1H3
InChIKey
REXBYBGSZJEITR-UHFFFAOYSA-N
Compound name
6-(2-methylpiperidin-1-yl)hexyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 177.5
[M+Na]+ 326.20904 188.5
[M+NH4]+ 321.25364 184.7
[M+K]+ 342.18298 180.4
[M-H]- 302.21254 180.6
[M+Na-2H]- 324.19449 183.1
[M]+ 303.21927 179.8
[M]- 303.22037 179.8
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.