CID 435880

Nsc378243

Structural Information

Molecular Formula
C6H12OS2
SMILES
CC1CC(S(=O)CS1)C
InChI
InChI=1S/C6H12OS2/c1-5-3-6(2)9(7)4-8-5/h5-6H,3-4H2,1-2H3
InChIKey
XDHXXIKOGOJIHJ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1,3-dithiane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.03296 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04024 128.9
[M+Na]+ 187.02218 136.5
[M-H]- 163.02568 132.4
[M+NH4]+ 182.06678 150.5
[M+K]+ 202.99612 133.6
[M+H-H2O]+ 147.03022 124.2
[M+HCOO]- 209.03116 139.3
[M+CH3COO]- 223.04681 175.8
[M+Na-2H]- 185.00763 128.8
[M]+ 164.03241 128.0
[M]- 164.03351 128.0
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.