CID 3593278

N-methoxy-n-methyl-2-(phenylsulfinyl)acetamide

Structural Information

Molecular Formula

C₁₀H₁₃NO₃S

SMILES

CN(C(=O)CS(=O)C1=CC=CC=C1)OC

InChI

InChI=1S/C10H13NO3S/c1-11(14-2)10(12)8-15(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChIKey

RHSJKCKGJJSJPT-UHFFFAOYSA-N

Compound name

2-(benzenesulfinyl)-N-methoxy-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.06161 Da
Monoisotopic Mass: 0.7
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]+	228.068886	148.5
[M+Na]+	250.050828	154.6
[M-H]-	226.054334	153.4
[M+NH4]+	245.095433	167.1
[M+K]+	266.024768	154.0
[M+H-H2O]+	210.058870	141.6
[M+HCOO]-	272.059811	167.8
[M+CH3COO]-	286.075461	191.9
[M+Na-2H]-	248.036276	150.3
[M]+	227.06106142	152.9
[M]-	227.06215858	152.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.