CID 300196

Nsc174524

Structural Information

Molecular Formula
C10H17NO4S
SMILES
COC1=NS(=O)(=O)C2CCCCCCC2O1
InChI
InChI=1S/C10H17NO4S/c1-14-10-11-16(12,13)9-7-5-3-2-4-6-8(9)15-10/h8-9H,2-7H2,1H3
InChIKey
DKRNKMDTXCDBQE-UHFFFAOYSA-N
Compound name
3-methoxy-4a,5,6,7,8,9,10,10a-octahydrocycloocta[e][1,4,3]oxathiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09511 159.4
[M+Na]+ 270.07705 164.4
[M-H]- 246.08055 161.1
[M+NH4]+ 265.12165 167.6
[M+K]+ 286.05099 165.1
[M+H-H2O]+ 230.08509 155.7
[M+HCOO]- 292.08603 164.7
[M+CH3COO]- 306.10168 224.0
[M+Na-2H]- 268.06250 159.1
[M]+ 247.08728 159.6
[M]- 247.08838 159.6
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.