CID 130737728

1935396-21-6

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

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

InChI

InChI=1S/C8H12N2OS/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5,10H,9H2,1-2H3

InChIKey

FXSLWUYWOIPFLB-UHFFFAOYSA-N

Compound name

3-methyl-4-(methylsulfonimidoyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.06703 Da
Monoisotopic Mass: 1.6
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]+	185.07431	138.9
[M+Na]+	207.05625	149.5
[M+NH4]+	202.10085	147.0
[M+K]+	223.03019	142.5
[M-H]-	183.05975	141.2
[M+Na-2H]-	205.04170	144.6
[M]+	184.06648	141.4
[M]-	184.06758	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.