CID 3552889

S-methyl-n,n-diethylthiocarbamate sulfone

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

CCN(CC)C(=O)S(=O)(=O)C

InChI

InChI=1S/C6H13NO3S/c1-4-7(5-2)6(8)11(3,9)10/h4-5H2,1-3H3

InChIKey

XRFGLFAEBISDIV-UHFFFAOYSA-N

Compound name

N,N-diethyl-1-methylsulfonylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 179.06161 Da
Monoisotopic Mass: 0.1
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]+	180.06889	139.7
[M+Na]+	202.05083	147.5
[M+NH4]+	197.09543	146.2
[M+K]+	218.02477	142.7
[M-H]-	178.05433	137.9
[M+Na-2H]-	200.03628	141.5
[M]+	179.06106	140.4
[M]-	179.06216	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe