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

114
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

literature stripe

Patent stripe

patents stripe