CID 12335977

4,4-dimethoxythiane

Structural Information

Molecular Formula

C₇H₁₄O₂S

SMILES

COC1(CCSCC1)OC

InChI

InChI=1S/C7H14O2S/c1-8-7(9-2)3-5-10-6-4-7/h3-6H2,1-2H3

InChIKey

ZZGIVFQQUQLVCW-UHFFFAOYSA-N

Compound name

4,4-dimethoxythiane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 162.07146 Da
Monoisotopic Mass: 1.1
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]+	163.07874	133.6
[M+Na]+	185.06068	143.8
[M+NH4]+	180.10528	144.6
[M+K]+	201.03462	134.1
[M-H]-	161.06418	135.7
[M+Na-2H]-	183.04613	140.0
[M]+	162.07091	136.2
[M]-	162.07201	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe