CID 6434853

64050-35-7

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]+ 316.227096 180.6
[M+Na]+ 338.209038 182.7
[M-H]- 314.212544 183.6
[M+NH4]+ 333.253643 193.1
[M+K]+ 354.182978 178.2
[M+H-H2O]+ 298.217080 171.1
[M+HCOO]- 360.218021 197.1
[M+CH3COO]- 374.233671 206.7
[M+Na-2H]- 336.194486 180.4
[M]+ 315.21927142 178.9
[M]- 315.22036858 178.9
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.