CID 11171709

782504-68-1

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CC1=C(C=C(C=C1)CC2CCNCC2)C

InChI

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

InChIKey

UGDSMWFVBHRRCG-UHFFFAOYSA-N

Compound name

4-[(3,4-dimethylphenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.1674 Da
Monoisotopic Mass: 3.2
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	149.1
[M+Na]+	226.156618	154.1
[M-H]-	202.160124	152.2
[M+NH4]+	221.201223	166.1
[M+K]+	242.130558	149.8
[M+H-H2O]+	186.164660	141.6
[M+HCOO]-	248.165601	166.3
[M+CH3COO]-	262.181251	185.3
[M+Na-2H]-	224.142066	152.3
[M]+	203.16685142	143.2
[M]-	203.16794858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe