CID 102989

3358-47-2

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1=CC=C(C=C1)C2CCCCN2C

InChI

InChI=1S/C13H19N/c1-11-6-8-12(9-7-11)13-5-3-4-10-14(13)2/h6-9,13H,3-5,10H2,1-2H3

InChIKey

DIKJIWPPCARJJK-UHFFFAOYSA-N

Compound name

1-methyl-2-(4-methylphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 189.15175 Da
Monoisotopic Mass: 2.4
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]+	190.159026	143.8
[M+Na]+	212.140968	149.7
[M-H]-	188.144474	148.5
[M+NH4]+	207.185573	162.2
[M+K]+	228.114908	146.6
[M+H-H2O]+	172.149010	136.2
[M+HCOO]-	234.149951	163.0
[M+CH3COO]-	248.165601	184.9
[M+Na-2H]-	210.126416	148.1
[M]+	189.15120142	139.5
[M]-	189.15229858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe