CID 66060

110-06-5

Structural Information

Molecular Formula
C8H18S2
SMILES
CC(C)(C)SSC(C)(C)C
InChI
InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
InChIKey
BKCNDTDWDGQHSD-UHFFFAOYSA-N
Compound name
2-(tert-butyldisulfanyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

2088
Patents

178.08499 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09227 139.4
[M+Na]+ 201.07421 146.5
[M-H]- 177.07771 139.8
[M+NH4]+ 196.11881 160.6
[M+K]+ 217.04815 144.0
[M+H-H2O]+ 161.08225 134.9
[M+HCOO]- 223.08319 148.2
[M+CH3COO]- 237.09884 181.7
[M+Na-2H]- 199.05966 140.5
[M]+ 178.08444 142.8
[M]- 178.08554 142.8
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