CID 172658

Einecs 274-967-4

Structural Information

Molecular Formula
C6H16O8SSi
SMILES
C(COCC(CS(=O)(=O)O)O)C[Si](O)(O)O
InChI
InChI=1S/C6H16O8SSi/c7-6(5-15(8,9)10)4-14-2-1-3-16(11,12)13/h6-7,11-13H,1-5H2,(H,8,9,10)
InChIKey
OGAIYCZMKDJRSU-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(3-trihydroxysilylpropoxy)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

276.0335 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04078 155.1
[M+Na]+ 299.02272 158.8
[M-H]- 275.02622 147.6
[M+NH4]+ 294.06732 167.8
[M+K]+ 314.99666 156.9
[M+H-H2O]+ 259.03076 150.3
[M+HCOO]- 321.03170 163.4
[M+CH3COO]- 335.04735 178.8
[M+Na-2H]- 297.00817 157.6
[M]+ 276.03295 157.5
[M]- 276.03405 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe