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 171.5
[M+Na]+ 314.17266 172.8
[M-H]- 290.17616 173.4
[M+NH4]+ 309.21726 183.8
[M+K]+ 330.14660 169.9
[M+H-H2O]+ 274.18070 162.6
[M+HCOO]- 336.18164 186.5
[M+CH3COO]- 350.19729 198.4
[M+Na-2H]- 312.15811 172.2
[M]+ 291.18289 168.2
[M]- 291.18399 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.