CID 581676

Tetrahydropiperine

Structural Information

Molecular Formula
C17H23NO3
SMILES
C1CCN(CC1)C(=O)CCCCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2
InChIKey
APZYKUZPJCQGPP-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

673
Patents

289.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 169.4
[M+Na]+ 312.157018 172.9
[M-H]- 288.160524 175.1
[M+NH4]+ 307.201623 183.0
[M+K]+ 328.130958 171.8
[M+H-H2O]+ 272.165060 161.3
[M+HCOO]- 334.166001 184.2
[M+CH3COO]- 348.181651 199.4
[M+Na-2H]- 310.142466 171.5
[M]+ 289.16725142 168.2
[M]- 289.16834858 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe