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]+ 180.06889 134.9
[M+Na]+ 202.05083 141.7
[M-H]- 178.05433 134.1
[M+NH4]+ 197.09543 154.6
[M+K]+ 218.02477 138.9
[M+H-H2O]+ 162.05887 130.3
[M+HCOO]- 224.05981 147.5
[M+CH3COO]- 238.07546 169.9
[M+Na-2H]- 200.03628 138.3
[M]+ 179.06106 132.1
[M]- 179.06216 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.