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

29
Patents

162.07146 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07874 132.9
[M+Na]+ 185.06068 138.8
[M-H]- 161.06418 136.1
[M+NH4]+ 180.10528 155.9
[M+K]+ 201.03462 138.6
[M+H-H2O]+ 145.06872 128.2
[M+HCOO]- 207.06966 148.9
[M+CH3COO]- 221.08531 173.9
[M+Na-2H]- 183.04613 137.2
[M]+ 162.07091 133.2
[M]- 162.07201 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe