CID 79974896

1543266-71-2

Structural Information

Molecular Formula
C6H13NO3S
SMILES
C1CS(=O)(=O)CC(N1)CCO
InChI
InChI=1S/C6H13NO3S/c8-3-1-6-5-11(9,10)4-2-7-6/h6-8H,1-5H2
InChIKey
FFSFTMZVJVJJPM-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06161 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.068886 134.9
[M+Na]+ 202.050828 141.7
[M-H]- 178.054334 134.1
[M+NH4]+ 197.095433 154.6
[M+K]+ 218.024768 138.9
[M+H-H2O]+ 162.058870 130.3
[M+HCOO]- 224.059811 147.5
[M+CH3COO]- 238.075461 169.9
[M+Na-2H]- 200.036276 138.3
[M]+ 179.06106142 132.1
[M]- 179.06215858 132.1
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.