CID 6913

2,4,6-trimethylaniline

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

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

InChI

InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3

InChIKey

KWVPRPSXBZNOHS-UHFFFAOYSA-N

Compound name

2,4,6-trimethylaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 6634
Patents: 135.1048 Da
Monoisotopic Mass: 2.3
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	127.4
[M+Na]+	158.09402	141.0
[M+NH4]+	153.13862	137.1
[M+K]+	174.06796	134.2
[M-H]-	134.09752	131.2
[M+Na-2H]-	156.07947	134.9
[M]+	135.10425	130.5
[M]-	135.10535	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe