CID 494306

Nsc378242

Structural Information

Molecular Formula
C7H14OS2
SMILES
CC1CC(S(=O)C(S1)C)C
InChI
InChI=1S/C7H14OS2/c1-5-4-6(2)10(8)7(3)9-5/h5-7H,4H2,1-3H3
InChIKey
FWCQIRKOLZORRS-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-1,3-dithiane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04861 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05589 132.3
[M+Na]+ 201.03783 140.2
[M-H]- 177.04133 135.8
[M+NH4]+ 196.08243 153.5
[M+K]+ 217.01177 137.0
[M+H-H2O]+ 161.04587 127.5
[M+HCOO]- 223.04681 142.2
[M+CH3COO]- 237.06246 179.9
[M+Na-2H]- 199.02328 131.1
[M]+ 178.04806 132.1
[M]- 178.04916 132.1
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

No patent data available for this compound.