CID 4431608

35332-09-3

Structural Information

Molecular Formula

SMILES

COCCSC

InChI

InChI=1S/C4H10OS/c1-5-3-4-6-2/h3-4H2,1-2H3

InChIKey

FIUYYKGOPZCCRI-UHFFFAOYSA-N

Compound name

1-methoxy-2-methylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 106.045235 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]+	107.05251	119.7
[M+Na]+	129.03445	130.6
[M+NH4]+	124.07906	129.2
[M+K]+	145.00839	122.6
[M-H]-	105.03796	120.3
[M+Na-2H]-	127.01990	123.9
[M]+	106.04469	121.8
[M]-	106.04578	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe