CID 12165

N-methyl-p-toluidine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CC1=CC=C(C=C1)NC

InChI

InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3

InChIKey

QCIFLGSATTWUQJ-UHFFFAOYSA-N

Compound name

N,4-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3770
Patents: 121.08915 Da
Monoisotopic Mass: 2.1
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]+	122.096426	122.6
[M+Na]+	144.078368	130.6
[M-H]-	120.081874	126.8
[M+NH4]+	139.122973	145.2
[M+K]+	160.052308	129.0
[M+H-H2O]+	104.086410	117.4
[M+HCOO]-	166.087351	148.6
[M+CH3COO]-	180.103001	174.2
[M+Na-2H]-	142.063816	131.2
[M]+	121.08860142	121.9
[M]-	121.08969858	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe