CID 59559064

28200-39-7

Structural Information

Molecular Formula

C₄H₁₁NO₂S₂

SMILES

CSCCNS(=O)(=O)C

InChI

InChI=1S/C4H11NO2S2/c1-8-4-3-5-9(2,6)7/h5H,3-4H2,1-2H3

InChIKey

YLNMXTHHTRKMNU-UHFFFAOYSA-N

Compound name

N-(2-methylsulfanylethyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 169.02312 Da
Monoisotopic Mass: 0.0
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]+	170.03040	136.1
[M+Na]+	192.01234	144.0
[M+NH4]+	187.05694	143.7
[M+K]+	207.98628	136.1
[M-H]-	168.01584	135.2
[M+Na-2H]-	189.99779	137.8
[M]+	169.02257	137.7
[M]-	169.02367	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe