CID 45791041

3-phenyl-1-piperidin-3-ylpropan-1-one

Structural Information

Molecular Formula
C14H19NO
SMILES
C1CC(CNC1)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKey
NEAGITLAIUKJGN-UHFFFAOYSA-N
Compound name
3-phenyl-1-piperidin-3-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 153.0
[M+Na]+ 240.13589 164.6
[M+NH4]+ 235.18049 161.3
[M+K]+ 256.10983 157.2
[M-H]- 216.13939 156.2
[M+Na-2H]- 238.12134 160.0
[M]+ 217.14612 155.4
[M]- 217.14722 155.4
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.