CID 6434853

3-(2'-pent-3''-enylpiperidino)propyl benzoate

Structural Information

Molecular Formula
C20H29NO2
SMILES
C/C=C/CCC1CCCCN1CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H29NO2/c1-2-3-5-13-19-14-8-9-15-21(19)16-10-17-23-20(22)18-11-6-4-7-12-18/h2-4,6-7,11-12,19H,5,8-10,13-17H2,1H3/b3-2+
InChIKey
ZLAMOIIYVOQQBW-NSCUHMNNSA-N
Compound name
3-[2-[(E)-pent-3-enyl]piperidin-1-yl]propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 181.2
[M+Na]+ 338.20904 192.1
[M+NH4]+ 333.25364 188.0
[M+K]+ 354.18298 183.6
[M-H]- 314.21254 184.0
[M+Na-2H]- 336.19449 186.4
[M]+ 315.21927 183.3
[M]- 315.22037 183.3
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.