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]+ 232.16959 156.2
[M+Na]+ 254.15153 169.4
[M+NH4]+ 249.19613 165.0
[M+K]+ 270.12547 161.0
[M-H]- 230.15503 160.3
[M+Na-2H]- 252.13698 163.6
[M]+ 231.16176 159.3
[M]- 231.16286 159.3
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.