CID 43522827

1423034-60-9

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

CNC1CS(=O)(=O)C2=CC=CC=C12

InChI

InChI=1S/C9H11NO2S/c1-10-8-6-13(11,12)9-5-3-2-4-7(8)9/h2-5,8,10H,6H2,1H3

InChIKey

MOIJSRIXTSAOOT-UHFFFAOYSA-N

Compound name

N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 197.05106 Da
Monoisotopic Mass: 0.3
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]+	198.05834	139.3
[M+Na]+	220.04028	150.3
[M+NH4]+	215.08488	149.9
[M+K]+	236.01422	142.0
[M-H]-	196.04378	141.6
[M+Na-2H]-	218.02573	145.7
[M]+	197.05051	142.0
[M]-	197.05161	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe