CID 605442

200417-21-6

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1CCN(CC1)C2=CC=C(C=C2)N

InChI

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

InChIKey

UZQJQJNKYMSTCP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 188
Patents: 190.147 Da
Monoisotopic Mass: 2.6
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

literature stripe

Patent stripe

patents stripe