CID 22330145

215162-94-0

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CN1CCC(CC1)C2=CC(=CC=C2)N

InChI

InChI=1S/C12H18N2/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-4,9-10H,5-8,13H2,1H3

InChIKey

BZPUKNPOZJNJLZ-UHFFFAOYSA-N

Compound name

3-(1-methylpiperidin-4-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 190.147 Da
Monoisotopic Mass: 1.8
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]+	191.15428	144.1
[M+Na]+	213.13622	149.6
[M-H]-	189.13972	148.4
[M+NH4]+	208.18082	161.8
[M+K]+	229.11016	146.2
[M+H-H2O]+	173.14426	136.3
[M+HCOO]-	235.14520	164.0
[M+CH3COO]-	249.16085	186.0
[M+Na-2H]-	211.12167	148.2
[M]+	190.14645	137.8
[M]-	190.14755	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe