CID 10800048

4-(4-ethyl-benzyl)-piperidine

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CCC1=CC=C(C=C1)CC2CCNCC2

InChI

InChI=1S/C14H21N/c1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14/h3-6,14-15H,2,7-11H2,1H3

InChIKey

GYGUVDCDFCXAQN-UHFFFAOYSA-N

Compound name

4-[(4-ethylphenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.1674 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.17468	150.2
[M+Na]+	226.15662	163.1
[M+NH4]+	221.20122	159.6
[M+K]+	242.13056	154.6
[M-H]-	202.16012	154.6
[M+Na-2H]-	224.14207	158.0
[M]+	203.16685	153.3
[M]-	203.16795	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe