CID 3063959

Nu-898

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCN1CCC(CC1)(C2=CC=CC=C2)OC(=O)CC
InChI
InChI=1S/C17H25NO2/c1-3-12-18-13-10-17(11-14-18,20-16(19)4-2)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKey
PJOXELCULBVNKB-UHFFFAOYSA-N
Compound name
(4-phenyl-1-propylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.6
[M+Na]+ 298.17776 180.2
[M+NH4]+ 293.22236 177.7
[M+K]+ 314.15170 170.9
[M-H]- 274.18126 171.8
[M+Na-2H]- 296.16321 176.3
[M]+ 275.18799 171.2
[M]- 275.18909 171.2
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.