CID 6896

2,6-dimethylaniline

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

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

InChI

InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3

InChIKey

UFFBMTHBGFGIHF-UHFFFAOYSA-N

Compound name

2,6-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 133
References: 11516
Patents: 121.08915 Da
Monoisotopic Mass: 1.8
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]+	122.09643	123.1
[M+Na]+	144.07837	136.6
[M+NH4]+	139.12297	132.9
[M+K]+	160.05231	129.7
[M-H]-	120.08187	126.9
[M+Na-2H]-	142.06382	131.1
[M]+	121.08860	126.1
[M]-	121.08970	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe