CID 9513

1-(2-phenylethyl)piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCN(CC1)CCC2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKey
DBDVAKGHPZJLTH-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

613
Patents

189.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.3
[M+Na]+ 212.140968 148.1
[M-H]- 188.144474 148.1
[M+NH4]+ 207.185573 161.9
[M+K]+ 228.114908 145.0
[M+H-H2O]+ 172.149010 136.1
[M+HCOO]- 234.149951 163.3
[M+CH3COO]- 248.165601 182.8
[M+Na-2H]- 210.126416 149.9
[M]+ 189.15120142 139.1
[M]- 189.15229858 139.1
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