CID 545381

2,2,7,7-tetramethyl-3,6-dithiaoctane

Structural Information

Molecular Formula
C10H22S2
SMILES
CC(C)(C)SCCSC(C)(C)C
InChI
InChI=1S/C10H22S2/c1-9(2,3)11-7-8-12-10(4,5)6/h7-8H2,1-6H3
InChIKey
HPSWXOHTKYJSJJ-UHFFFAOYSA-N
Compound name
2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

206.11629 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12357 147.9
[M+Na]+ 229.10551 154.2
[M-H]- 205.10901 147.9
[M+NH4]+ 224.15011 168.1
[M+K]+ 245.07945 151.2
[M+H-H2O]+ 189.11355 143.0
[M+HCOO]- 251.11449 156.2
[M+CH3COO]- 265.13014 187.6
[M+Na-2H]- 227.09096 148.2
[M]+ 206.11574 152.1
[M]- 206.11684 152.1
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.