CID 198923

3518-89-6

Structural Information

Molecular Formula
C15H21NO
SMILES
CCC1CN(CCC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c1-2-14-12-16(11-9-15(14)17)10-8-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKey
MVMKGNKSDGFNPR-UHFFFAOYSA-N
Compound name
3-ethyl-1-(2-phenylethyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 155.2
[M+Na]+ 254.151528 160.4
[M-H]- 230.155034 159.5
[M+NH4]+ 249.196133 171.6
[M+K]+ 270.125468 156.7
[M+H-H2O]+ 214.159570 147.0
[M+HCOO]- 276.160511 174.0
[M+CH3COO]- 290.176161 192.1
[M+Na-2H]- 252.136976 158.3
[M]+ 231.16176142 152.3
[M]- 231.16285858 152.3
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.