CID 102474

728-53-0

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCN(CC1)C2CC(=O)N(C2)C3=CC=CC=C3
InChI
InChI=1S/C15H20N2O/c18-15-11-14(16-9-5-2-6-10-16)12-17(15)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey
HXYYSKMOHXXOAW-UHFFFAOYSA-N
Compound name
1-phenyl-4-piperidin-1-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 159.8
[M+Na]+ 267.14678 171.8
[M+NH4]+ 262.19138 168.5
[M+K]+ 283.12072 166.0
[M-H]- 243.15028 164.5
[M+Na-2H]- 265.13223 167.0
[M]+ 244.15701 162.7
[M]- 244.15811 162.7
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.