CID 275705

2-methyl-2-[(2-methylpropane-2-sulfinyl)sulfanyl]propane

Structural Information

Molecular Formula
C8H18OS2
SMILES
CC(C)(C)SS(=O)C(C)(C)C
InChI
InChI=1S/C8H18OS2/c1-7(2,3)10-11(9)8(4,5)6/h1-6H3
InChIKey
ZFKIFCIQBZYNIQ-UHFFFAOYSA-N
Compound name
2-tert-butylsulfinylsulfanyl-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

194.07991 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08719 142.3
[M+Na]+ 217.06913 149.1
[M-H]- 193.07263 142.6
[M+NH4]+ 212.11373 162.6
[M+K]+ 233.04307 146.9
[M+H-H2O]+ 177.07717 137.7
[M+HCOO]- 239.07811 150.5
[M+CH3COO]- 253.09376 183.4
[M+Na-2H]- 215.05458 142.7
[M]+ 194.07936 145.8
[M]- 194.08046 145.8
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