CID 59674088

851008-70-3

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

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

InChI

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

InChIKey

GRPIHZOOGIQPSE-UHFFFAOYSA-N

Compound name

4-(N,S-dimethylsulfonimidoyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 184.06703 Da
Monoisotopic Mass: 1.2
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]+	185.074306	136.9
[M+Na]+	207.056248	145.4
[M-H]-	183.059754	142.0
[M+NH4]+	202.100853	157.4
[M+K]+	223.030188	142.6
[M+H-H2O]+	167.064290	130.8
[M+HCOO]-	229.065231	158.2
[M+CH3COO]-	243.080881	184.9
[M+Na-2H]-	205.041696	142.3
[M]+	184.06648142	137.6
[M]-	184.06757858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe