CID 74873

3-(trimethylsilyl)propane-1-sulfonic acid

Structural Information

Molecular Formula
C6H16O3SSi
SMILES
C[Si](C)(C)CCCS(=O)(=O)O
InChI
InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)
InChIKey
TVZRAEYQIKYCPH-UHFFFAOYSA-N
Compound name
3-trimethylsilylpropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

95
References

36485
Patents

196.05894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06622 140.7
[M+Na]+ 219.04816 148.1
[M-H]- 195.05166 139.8
[M+NH4]+ 214.09276 160.7
[M+K]+ 235.02210 146.4
[M+H-H2O]+ 179.05620 136.7
[M+HCOO]- 241.05714 155.2
[M+CH3COO]- 255.07279 176.5
[M+Na-2H]- 217.03361 144.7
[M]+ 196.05839 144.4
[M]- 196.05949 144.4
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