CID 8488

N,n-dimethyl-m-toluidine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC1=CC(=CC=C1)N(C)C

InChI

InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3

InChIKey

CWOMTHDOJCARBY-UHFFFAOYSA-N

Compound name

N,N,3-trimethylaniline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 3801
Patents: 135.1048 Da
Monoisotopic Mass: 2.8
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]+	136.11208	127.9
[M+Na]+	158.09402	141.3
[M+NH4]+	153.13862	138.0
[M+K]+	174.06796	134.2
[M-H]-	134.09752	132.1
[M+Na-2H]-	156.07947	136.5
[M]+	135.10425	131.1
[M]-	135.10535	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe