CID 3022394

4-benzyl-1-ethylpiperidine

Structural Information

Molecular Formula
C14H21N
SMILES
CCN1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C14H21N/c1-2-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKey
ZBKWFCQXPPFOLJ-UHFFFAOYSA-N
Compound name
4-benzyl-1-ethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

203.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 148.7
[M+Na]+ 226.156618 153.1
[M-H]- 202.160124 152.7
[M+NH4]+ 221.201223 166.1
[M+K]+ 242.130558 149.8
[M+H-H2O]+ 186.164660 140.6
[M+HCOO]- 248.165601 167.4
[M+CH3COO]- 262.181251 186.9
[M+Na-2H]- 224.142066 153.0
[M]+ 203.16685142 144.3
[M]- 203.16794858 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.