CID 59779725

569650-27-7

Structural Information

Molecular Formula
C3H7NO3S
SMILES
C1CNS(=O)(=O)OC1
InChI
InChI=1S/C3H7NO3S/c5-8(6)4-2-1-3-7-8/h4H,1-3H2
InChIKey
HIYBICWLLTWQND-UHFFFAOYSA-N
Compound name
oxathiazinane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

137.01466 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.021936 121.0
[M+Na]+ 160.003878 128.8
[M-H]- 136.007384 122.6
[M+NH4]+ 155.048483 141.5
[M+K]+ 175.977818 128.7
[M+H-H2O]+ 120.011920 116.4
[M+HCOO]- 182.012861 135.4
[M+CH3COO]- 196.028511 162.2
[M+Na-2H]- 157.989326 127.8
[M]+ 137.01411142 119.1
[M]- 137.01520858 119.1
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