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

156
Patents

203.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.4
[M+Na]+ 226.120228 151.2
[M-H]- 202.123734 150.8
[M+NH4]+ 221.164833 163.6
[M+K]+ 242.094168 148.5
[M+H-H2O]+ 186.128270 138.5
[M+HCOO]- 248.129211 164.9
[M+CH3COO]- 262.144861 185.8
[M+Na-2H]- 224.105676 150.1
[M]+ 203.13046142 141.8
[M]- 203.13155858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe