CID 132342054

2-methanesulfonyl-2-methylpropanethioamide

Structural Information

Molecular Formula

C₅H₁₁NO₂S₂

SMILES

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

InChI

InChI=1S/C5H11NO2S2/c1-5(2,4(6)9)10(3,7)8/h1-3H3,(H2,6,9)

InChIKey

WOCIUJHUPDXLEA-UHFFFAOYSA-N

Compound name

2-methyl-2-methylsulfonylpropanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.02312 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]+	182.030396	136.9
[M+Na]+	204.012338	144.0
[M-H]-	180.015844	136.5
[M+NH4]+	199.056943	156.4
[M+K]+	219.986278	140.8
[M+H-H2O]+	164.020380	132.0
[M+HCOO]-	226.021321	146.5
[M+CH3COO]-	240.036971	179.8
[M+Na-2H]-	201.997786	138.2
[M]+	181.02257142	137.4
[M]-	181.02366858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.