CID 217336

Piperidine, 1-(4-piperidinophenethyl)-

Structural Information

Molecular Formula
C18H28N2
SMILES
C1CCN(CC1)CCC2=CC=C(C=C2)N3CCCCC3
InChI
InChI=1S/C18H28N2/c1-3-12-19(13-4-1)16-11-17-7-9-18(10-8-17)20-14-5-2-6-15-20/h7-10H,1-6,11-16H2
InChIKey
XOIWDEDWKCDWSE-UHFFFAOYSA-N
Compound name
1-[4-(2-piperidin-1-ylethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

272.22525 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 169.4
[M+Na]+ 295.21447 170.1
[M-H]- 271.21797 173.4
[M+NH4]+ 290.25907 181.5
[M+K]+ 311.18841 165.3
[M+H-H2O]+ 255.22251 158.1
[M+HCOO]- 317.22345 182.2
[M+CH3COO]- 331.23910 177.1
[M+Na-2H]- 293.19992 170.6
[M]+ 272.22470 159.7
[M]- 272.22580 159.7
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