CID 7201

N-ethyl-o-toluidine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCNC1=CC=CC=C1C

InChI

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

InChIKey

MWOUGPLLVVEUMM-UHFFFAOYSA-N

Compound name

N-ethyl-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1864
Patents: 135.1048 Da
Monoisotopic Mass: 2.5
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	127.3
[M+Na]+	158.094018	134.9
[M-H]-	134.097524	131.2
[M+NH4]+	153.138623	149.3
[M+K]+	174.067958	133.0
[M+H-H2O]+	118.102060	121.8
[M+HCOO]-	180.103001	153.0
[M+CH3COO]-	194.118651	177.3
[M+Na-2H]-	156.079466	135.3
[M]+	135.10425142	126.9
[M]-	135.10534858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe