CID 14818260

89055-43-6

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: 78
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]+	123.047426	122.4
[M+Na]+	145.029368	130.1
[M-H]-	121.032874	123.3
[M+NH4]+	140.073973	145.4
[M+K]+	161.003308	130.8
[M+H-H2O]+	105.037410	117.9
[M+HCOO]-	167.038351	140.8
[M+CH3COO]-	181.054001	169.9
[M+Na-2H]-	143.014816	125.7
[M]+	122.03960142	127.2
[M]-	122.04069858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe