CID 11959627

1-(1-phenylethyl)piperidin-4-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CC(C1=CC=CC=C1)N2CCC(=O)CC2
InChI
InChI=1S/C13H17NO/c1-11(12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-6,11H,7-10H2,1H3
InChIKey
CDVAHHCNEWIUMV-UHFFFAOYSA-N
Compound name
1-(1-phenylethyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

203.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 147.4
[M+Na]+ 226.12023 160.3
[M+NH4]+ 221.16483 156.4
[M+K]+ 242.09417 153.0
[M-H]- 202.12373 151.3
[M+Na-2H]- 224.10568 155.2
[M]+ 203.13046 150.3
[M]- 203.13156 150.3
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

patents stripe