CID 54372917

4-[(2,6-dimethylpyridin-4-yl)methyl]aniline

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

CC1=CC(=CC(=N1)C)CC2=CC=C(C=C2)N

InChI

InChI=1S/C14H16N2/c1-10-7-13(8-11(2)16-10)9-12-3-5-14(15)6-4-12/h3-8H,9,15H2,1-2H3

InChIKey

UULYPLNMFMJNIB-UHFFFAOYSA-N

Compound name

4-[(2,6-dimethyl-4-pyridinyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.13135 Da
Monoisotopic Mass: 2.9
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]+	213.138626	148.7
[M+Na]+	235.120568	157.5
[M-H]-	211.124074	154.2
[M+NH4]+	230.165173	166.1
[M+K]+	251.094508	152.9
[M+H-H2O]+	195.128610	140.9
[M+HCOO]-	257.129551	172.2
[M+CH3COO]-	271.145201	192.2
[M+Na-2H]-	233.106016	154.1
[M]+	212.13080142	147.8
[M]-	212.13189858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.