CID 215684

2-(piperidin-1-yl)ethyl 3-hydroxy-2-phenylpropanoate

Structural Information

Molecular Formula
C16H23NO3
SMILES
C1CCN(CC1)CCOC(=O)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO3/c18-13-15(14-7-3-1-4-8-14)16(19)20-12-11-17-9-5-2-6-10-17/h1,3-4,7-8,15,18H,2,5-6,9-13H2
InChIKey
NKUNZZUYPXZYBM-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.175076 167.1
[M+Na]+ 300.157018 168.7
[M-H]- 276.160524 169.1
[M+NH4]+ 295.201623 179.9
[M+K]+ 316.130958 166.1
[M+H-H2O]+ 260.165060 158.3
[M+HCOO]- 322.166001 182.4
[M+CH3COO]- 336.181651 195.4
[M+Na-2H]- 298.142466 168.2
[M]+ 277.16725142 163.4
[M]- 277.16834858 163.4
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.