CID 5190919

2-(2-phenylethyl)piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCNC(C1)CCC2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKey
MOUYVILUKZKNDE-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.7
[M+Na]+ 212.140968 148.1
[M-H]- 188.144474 147.1
[M+NH4]+ 207.185573 161.6
[M+K]+ 228.114908 144.1
[M+H-H2O]+ 172.149010 136.8
[M+HCOO]- 234.149951 162.2
[M+CH3COO]- 248.165601 180.1
[M+Na-2H]- 210.126416 149.8
[M]+ 189.15120142 137.7
[M]- 189.15229858 137.7
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