CID 213239

25841-41-2

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

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

InChI

InChI=1S/C5H11NO2S/c1-5(2,4(6)7)9(3)8/h1-3H3,(H2,6,7)

InChIKey

MUECCSKNNXBJNI-UHFFFAOYSA-N

Compound name

2-methyl-2-methylsulfinylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.05106 Da
Monoisotopic Mass: -1.0
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]+	150.05834	129.9
[M+Na]+	172.04028	136.9
[M-H]-	148.04378	130.1
[M+NH4]+	167.08488	151.0
[M+K]+	188.01422	136.2
[M+H-H2O]+	132.04832	125.3
[M+HCOO]-	194.04926	146.0
[M+CH3COO]-	208.06491	176.2
[M+Na-2H]-	170.02573	131.6
[M]+	149.05051	130.7
[M]-	149.05161	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.