CID 3051496

3-hydroxy-2-phenylpropionic acid 3-piperidinopropyl ester

Structural Information

Molecular Formula
C17H25NO3
SMILES
C1CCN(CC1)CCCOC(=O)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO3/c19-14-16(15-8-3-1-4-9-15)17(20)21-13-7-12-18-10-5-2-6-11-18/h1,3-4,8-9,16,19H,2,5-7,10-14H2
InChIKey
RRQNVSHRFNLZEO-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 171.9
[M+Na]+ 314.17266 181.6
[M+NH4]+ 309.21726 178.4
[M+K]+ 330.14660 175.4
[M-H]- 290.17616 173.7
[M+Na-2H]- 312.15811 176.8
[M]+ 291.18289 173.5
[M]- 291.18399 173.5
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.