CID 10975550

1025505-82-1

Structural Information

Molecular Formula
C3H7NO3S
SMILES
C[C@H]1COS(=O)(=O)N1
InChI
InChI=1S/C3H7NO3S/c1-3-2-7-8(5,6)4-3/h3-4H,2H2,1H3/t3-/m0/s1
InChIKey
TVCSALYWDGDRBY-VKHMYHEASA-N
Compound name
(4S)-4-methyloxathiazolidine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

137.01466 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.021936 120.6
[M+Na]+ 160.003878 130.4
[M-H]- 136.007384 122.9
[M+NH4]+ 155.048483 143.4
[M+K]+ 175.977818 130.3
[M+H-H2O]+ 120.011920 116.9
[M+HCOO]- 182.012861 137.1
[M+CH3COO]- 196.028511 163.1
[M+Na-2H]- 157.989326 125.4
[M]+ 137.01411142 121.3
[M]- 137.01520858 121.3
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