CID 69137

N-methyl-o-toluidine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CC1=CC=CC=C1NC

InChI

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

InChIKey

GUAWMXYQZKVRCW-UHFFFAOYSA-N

Compound name

N,2-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 5356
Patents: 121.08915 Da
Monoisotopic Mass: 2.2
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]+	122.09643	122.6
[M+Na]+	144.07837	130.6
[M-H]-	120.08187	126.8
[M+NH4]+	139.12297	145.2
[M+K]+	160.05231	129.0
[M+H-H2O]+	104.08641	117.4
[M+HCOO]-	166.08735	148.6
[M+CH3COO]-	180.10300	174.2
[M+Na-2H]-	142.06382	131.2
[M]+	121.08860	121.9
[M]-	121.08970	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe