CID 87678

4-(3-phenylpropyl)piperidine

Structural Information

Molecular Formula
C14H21N
SMILES
C1CNCCC1CCCC2=CC=CC=C2
InChI
InChI=1S/C14H21N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,14-15H,4,7-12H2
InChIKey
HASRFXGIJALRRB-UHFFFAOYSA-N
Compound name
4-(3-phenylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

424
Patents

203.1674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 149.2
[M+Na]+ 226.156618 152.2
[M-H]- 202.160124 151.4
[M+NH4]+ 221.201223 165.5
[M+K]+ 242.130558 147.9
[M+H-H2O]+ 186.164660 141.1
[M+HCOO]- 248.165601 166.4
[M+CH3COO]- 262.181251 183.1
[M+Na-2H]- 224.142066 153.8
[M]+ 203.16685142 142.5
[M]- 203.16794858 142.5
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