CID 107934

Mtset cpd

Structural Information

Molecular Formula
C6H16NO2S2
SMILES
C[N+](C)(C)CCSS(=O)(=O)C
InChI
InChI=1S/C6H16NO2S2/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3/q+1
InChIKey
VRGHSYHERKHVHD-UHFFFAOYSA-N
Compound name
trimethyl(2-methylsulfonylsulfanylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

173
References

207
Patents

198.06224 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06952 135.2
[M+Na]+ 221.05146 142.5
[M-H]- 197.05496 137.1
[M+NH4]+ 216.09606 155.4
[M+K]+ 237.02540 135.1
[M+H-H2O]+ 181.05950 132.8
[M+HCOO]- 243.06044 147.4
[M+CH3COO]- 257.07609 179.5
[M+Na-2H]- 219.03691 141.4
[M]+ 198.06169 138.1
[M]- 198.06279 138.1
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