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

192
Patents

137.01466 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.02194 121.0
[M+Na]+ 160.00388 128.8
[M-H]- 136.00738 122.6
[M+NH4]+ 155.04848 141.5
[M+K]+ 175.97782 128.7
[M+H-H2O]+ 120.01192 116.4
[M+HCOO]- 182.01286 135.4
[M+CH3COO]- 196.02851 162.2
[M+Na-2H]- 157.98933 127.8
[M]+ 137.01411 119.1
[M]- 137.01521 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