CID 146082099

[(methanesulfonylsulfanyl)methyl]cyclopropane

Structural Information

Molecular Formula

C₅H₁₀O₂S₂

SMILES

CS(=O)(=O)SCC1CC1

InChI

InChI=1S/C5H10O2S2/c1-9(6,7)8-4-5-2-3-5/h5H,2-4H2,1H3

InChIKey

DXMDTDVDNDWQHH-UHFFFAOYSA-N

Compound name

methylsulfonylsulfanylmethylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.01222 Da
Monoisotopic Mass: 0.8
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]+	167.019496	128.0
[M+Na]+	189.001438	137.5
[M-H]-	165.004944	132.4
[M+NH4]+	184.046043	144.2
[M+K]+	204.975378	134.1
[M+H-H2O]+	149.009480	122.1
[M+HCOO]-	211.010421	140.7
[M+CH3COO]-	225.026071	177.7
[M+Na-2H]-	186.986886	130.9
[M]+	166.01167142	133.4
[M]-	166.01276858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.