CID 201517

6139-34-0

Structural Information

Molecular Formula
C13H17NO
SMILES
CCC1(CCCC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-2-13(10-6-9-12(15)14-13)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,14,15)
InChIKey
LPPKDHLXERDOIJ-UHFFFAOYSA-N
Compound name
6-ethyl-6-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 148.3
[M+Na]+ 226.12023 161.1
[M+NH4]+ 221.16483 158.5
[M+K]+ 242.09417 151.6
[M-H]- 202.12373 151.9
[M+Na-2H]- 224.10568 157.3
[M]+ 203.13046 151.2
[M]- 203.13156 151.2
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.