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]+	204.174676	149.2
[M+Na]+	226.156618	153.2
[M-H]-	202.160124	151.8
[M+NH4]+	221.201223	165.9
[M+K]+	242.130558	148.9
[M+H-H2O]+	186.164660	141.4
[M+HCOO]-	248.165601	166.4
[M+CH3COO]-	262.181251	184.2
[M+Na-2H]-	224.142066	153.1
[M]+	203.16685142	142.9
[M]-	203.16794858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe