CID 638113

40015-15-4

Structural Information

Molecular Formula

C₅H₁₂O₂S

SMILES

COC(CSC)OC

InChI

InChI=1S/C5H12O2S/c1-6-5(7-2)4-8-3/h5H,4H2,1-3H3

InChIKey

DVOAQLUDKIFSNB-UHFFFAOYSA-N

Compound name

1,1-dimethoxy-2-methylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 136.0558 Da
Monoisotopic Mass: 0.7
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]+	137.063076	127.0
[M+Na]+	159.045018	134.2
[M-H]-	135.048524	127.6
[M+NH4]+	154.089623	149.4
[M+K]+	175.018958	134.6
[M+H-H2O]+	119.053060	122.2
[M+HCOO]-	181.054001	145.0
[M+CH3COO]-	195.069651	172.9
[M+Na-2H]-	157.030466	129.8
[M]+	136.05525142	132.2
[M]-	136.05634858	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe