CID 130693852

37527-91-6

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

CS(=N)(=O)C1=CC=CC=C1CN

InChI

InChI=1S/C8H12N2OS/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,10H,6,9H2,1H3

InChIKey

HTYCUTMQDBIENG-UHFFFAOYSA-N

Compound name

[2-(methylsulfonimidoyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.06703 Da
Monoisotopic Mass: 1.3
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	138.5
[M+Na]+	207.05625	148.8
[M+NH4]+	202.10085	146.6
[M+K]+	223.03019	141.7
[M-H]-	183.05975	140.8
[M+Na-2H]-	205.04170	144.5
[M]+	184.06648	140.9
[M]-	184.06758	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.