CID 14818260

Ethanethiol, 2,2-dimethoxy-

Structural Information

Molecular Formula

C₄H₁₀O₂S

SMILES

COC(CS)OC

InChI

InChI=1S/C4H10O2S/c1-5-4(3-7)6-2/h4,7H,3H2,1-2H3

InChIKey

NHSVBZUCAFSNBR-UHFFFAOYSA-N

Compound name

2,2-dimethoxyethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 122.04015 Da
Monoisotopic Mass: 0.4
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]+	123.04743	123.4
[M+Na]+	145.02937	133.4
[M+NH4]+	140.07397	132.1
[M+K]+	161.00331	126.7
[M-H]-	121.03287	123.1
[M+Na-2H]-	143.01482	126.7
[M]+	122.03960	125.0
[M]-	122.04070	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe