CID 84046657

(1,1-dioxo-1,4-thiazinan-2-yl)methanol

Structural Information

Molecular Formula
C5H11NO3S
SMILES
C1CS(=O)(=O)C(CN1)CO
InChI
InChI=1S/C5H11NO3S/c7-4-5-3-6-1-2-10(5,8)9/h5-7H,1-4H2
InChIKey
UORXINCZKVEBRI-UHFFFAOYSA-N
Compound name
(1,1-dioxo-1,4-thiazinan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04596 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05324 130.7
[M+Na]+ 188.03518 138.0
[M-H]- 164.03868 130.1
[M+NH4]+ 183.07978 150.9
[M+K]+ 204.00912 135.4
[M+H-H2O]+ 148.04322 126.2
[M+HCOO]- 210.04416 143.6
[M+CH3COO]- 224.05981 166.9
[M+Na-2H]- 186.02063 134.5
[M]+ 165.04541 127.6
[M]- 165.04651 127.6
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.