CID 73977818

3-benzyloxathiazolidine 2,2-dioxide

Structural Information

Molecular Formula
C9H11NO3S
SMILES
C1COS(=O)(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C9H11NO3S/c11-14(12)10(6-7-13-14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
LXNUUWWYTMUXBY-UHFFFAOYSA-N
Compound name
3-benzyloxathiazolidine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04596 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.053236 141.0
[M+Na]+ 236.035178 150.6
[M-H]- 212.038684 147.7
[M+NH4]+ 231.079783 161.4
[M+K]+ 252.009118 149.3
[M+H-H2O]+ 196.043220 135.4
[M+HCOO]- 258.044161 159.1
[M+CH3COO]- 272.059811 179.3
[M+Na-2H]- 234.020626 145.6
[M]+ 213.04541142 143.5
[M]- 213.04650858 143.5
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

No patent data available for this compound.