CID 567272

2,2,6,6-tetramethyl-1,3-dithiane-4-thione

Structural Information

Molecular Formula
C8H14S3
SMILES
CC1(CC(=S)SC(S1)(C)C)C
InChI
InChI=1S/C8H14S3/c1-7(2)5-6(9)10-8(3,4)11-7/h5H2,1-4H3
InChIKey
NJNNGZZHYLVBMD-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethyl-1,3-dithiane-4-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.02576 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03304 134.1
[M+Na]+ 229.01498 141.5
[M-H]- 205.01848 136.1
[M+NH4]+ 224.05958 156.9
[M+K]+ 244.98892 136.7
[M+H-H2O]+ 189.02302 130.7
[M+HCOO]- 251.02396 137.2
[M+CH3COO]- 265.03961 184.9
[M+Na-2H]- 227.00043 135.6
[M]+ 206.02521 132.7
[M]- 206.02631 132.7
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.