CID 4341895

4-phenethyl-piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CNCCC1CCC2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-5,13-14H,6-11H2
InChIKey
WFTPSTRUUZKFRH-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

318
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 146.2
[M+Na]+ 212.14097 158.9
[M+NH4]+ 207.18557 155.8
[M+K]+ 228.11491 150.4
[M-H]- 188.14447 150.5
[M+Na-2H]- 210.12642 154.5
[M]+ 189.15120 149.2
[M]- 189.15230 149.2
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