CID 20427844

1-(2-phenylacetyl)piperidin-4-one

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CN(CCC1=O)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c15-12-6-8-14(9-7-12)13(16)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
JDUBKUFIMVRPFG-UHFFFAOYSA-N
Compound name
1-(2-phenylacetyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

217.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.6
[M+Na]+ 240.09950 153.8
[M-H]- 216.10300 153.0
[M+NH4]+ 235.14410 165.1
[M+K]+ 256.07344 151.0
[M+H-H2O]+ 200.10754 140.6
[M+HCOO]- 262.10848 167.5
[M+CH3COO]- 276.12413 186.4
[M+Na-2H]- 238.08495 152.3
[M]+ 217.10973 144.6
[M]- 217.11083 144.6
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

patents stripe