CID 55178

Dtxsid701003971

Structural Information

Molecular Formula
C17H24N2O
SMILES
C1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H24N2O/c20-17(19-11-5-2-6-12-19)15-9-13-18(14-10-15)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKey
CBBLZMOXTZYDOM-UHFFFAOYSA-N
Compound name
(1-phenylpiperidin-4-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 167.5
[M+Na]+ 295.178088 168.7
[M-H]- 271.181594 171.9
[M+NH4]+ 290.222693 179.5
[M+K]+ 311.152028 164.6
[M+H-H2O]+ 255.186130 156.6
[M+HCOO]- 317.187071 180.1
[M+CH3COO]- 331.202721 175.5
[M+Na-2H]- 293.163536 168.2
[M]+ 272.18832142 157.5
[M]- 272.18941858 157.5
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.