CID 45791041

1177350-80-9

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]+ 218.153946 151.7
[M+Na]+ 240.135888 154.7
[M-H]- 216.139394 154.0
[M+NH4]+ 235.180493 167.2
[M+K]+ 256.109828 150.8
[M+H-H2O]+ 200.143930 143.6
[M+HCOO]- 262.144871 168.3
[M+CH3COO]- 276.160521 185.1
[M+Na-2H]- 238.121336 155.1
[M]+ 217.14612142 145.1
[M]- 217.14721858 145.1
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.