CID 116941

70942-24-4

Structural Information

Molecular Formula
C3H10O6SSi
SMILES
C(C[Si](O)(O)O)CS(=O)(=O)O
InChI
InChI=1S/C3H10O6SSi/c4-10(5,6)2-1-3-11(7,8)9/h7-9H,1-3H2,(H,4,5,6)
InChIKey
WYTQXLFLAMZNNZ-UHFFFAOYSA-N
Compound name
3-trihydroxysilylpropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1130
Patents

201.99673 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00401 137.9
[M+Na]+ 224.98595 144.3
[M-H]- 200.98945 132.6
[M+NH4]+ 220.03055 154.7
[M+K]+ 240.95989 142.0
[M+H-H2O]+ 184.99399 134.0
[M+HCOO]- 246.99493 149.2
[M+CH3COO]- 261.01058 166.5
[M+Na-2H]- 222.97140 142.4
[M]+ 201.99618 138.9
[M]- 201.99728 138.9
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