CID 229052

Ethylicin

Structural Information

Molecular Formula

C₄H₁₀O₂S₂

SMILES

CCSS(=O)(=O)CC

InChI

InChI=1S/C4H10O2S2/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3

InChIKey

OICGFSUWXCJLCO-UHFFFAOYSA-N

Compound name

1-ethylsulfonylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1740
Patents: 154.01222 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]+	155.019496	128.4
[M+Na]+	177.001438	136.9
[M-H]-	153.004944	129.0
[M+NH4]+	172.046043	150.1
[M+K]+	192.975378	134.4
[M+H-H2O]+	137.009480	123.9
[M+HCOO]-	199.010421	140.7
[M+CH3COO]-	213.026071	172.7
[M+Na-2H]-	174.986886	130.8
[M]+	154.01167142	132.4
[M]-	154.01276858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe