CID 51520

2,5-dimethyl-1,4-dithiane

Structural Information

Molecular Formula
C6H12S2
SMILES
CC1CSC(CS1)C
InChI
InChI=1S/C6H12S2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3
InChIKey
OGQAHQBLZPEVNY-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,4-dithiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

148.03804 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.045316 126.0
[M+Na]+ 171.027258 132.7
[M-H]- 147.030764 129.2
[M+NH4]+ 166.071863 148.1
[M+K]+ 187.001198 130.1
[M+H-H2O]+ 131.035300 121.2
[M+HCOO]- 193.036241 136.1
[M+CH3COO]- 207.051891 173.6
[M+Na-2H]- 169.012706 126.4
[M]+ 148.03749142 124.0
[M]- 148.03858858 124.0
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

patents stripe