CID 11869

N,n-dimethyl-o-toluidine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC1=CC=CC=C1N(C)C

InChI

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

InChIKey

JDEJGVSZUIJWBM-UHFFFAOYSA-N

Compound name

N,N,2-trimethylaniline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 12351
Patents: 135.1048 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]+	136.112076	127.1
[M+Na]+	158.094018	134.8
[M-H]-	134.097524	132.5
[M+NH4]+	153.138623	149.7
[M+K]+	174.067958	134.3
[M+H-H2O]+	118.102060	121.4
[M+HCOO]-	180.103001	153.2
[M+CH3COO]-	194.118651	180.9
[M+Na-2H]-	156.079466	134.3
[M]+	135.10425142	127.9
[M]-	135.10534858	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe