CID 131343080

3-acetyl-1-phenylpiperidin-2-one

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC(=O)C1CCCN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c1-10(15)12-8-5-9-14(13(12)16)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3
InChIKey
PILPATAVOYVCMA-UHFFFAOYSA-N
Compound name
3-acetyl-1-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 147.9
[M+Na]+ 240.09950 153.9
[M-H]- 216.10300 152.7
[M+NH4]+ 235.14410 164.7
[M+K]+ 256.07344 151.2
[M+H-H2O]+ 200.10754 140.1
[M+HCOO]- 262.10848 166.8
[M+CH3COO]- 276.12413 188.2
[M+Na-2H]- 238.08495 151.0
[M]+ 217.10973 144.4
[M]- 217.11083 144.4
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.