CID 3051496

67466-05-1

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]+ 292.190716 171.5
[M+Na]+ 314.172658 172.8
[M-H]- 290.176164 173.4
[M+NH4]+ 309.217263 183.8
[M+K]+ 330.146598 169.9
[M+H-H2O]+ 274.180700 162.6
[M+HCOO]- 336.181641 186.5
[M+CH3COO]- 350.197291 198.4
[M+Na-2H]- 312.158106 172.2
[M]+ 291.18289142 168.2
[M]- 291.18398858 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.