CID 300202

36743-52-9

Structural Information

Molecular Formula
C7H13NO4S
SMILES
CC1C(OC(=NS1(=O)=O)OC)(C)C
InChI
InChI=1S/C7H13NO4S/c1-5-7(2,3)12-6(11-4)8-13(5,9)10/h5H,1-4H3
InChIKey
GPICGRLCXPIDCC-UHFFFAOYSA-N
Compound name
2-methoxy-5,6,6-trimethyl-5H-1,4,3-oxathiazine 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05653 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 133.4
[M+Na]+ 230.04575 144.4
[M-H]- 206.04925 137.6
[M+NH4]+ 225.09035 155.0
[M+K]+ 246.01969 145.0
[M+H-H2O]+ 190.05379 129.7
[M+HCOO]- 252.05473 149.7
[M+CH3COO]- 266.07038 181.3
[M+Na-2H]- 228.03120 140.1
[M]+ 207.05598 139.5
[M]- 207.05708 139.5
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.