CID 91666873

1286768-24-8

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

C1CS(=O)(=O)C[C@@H](N1)CO

InChI

InChI=1S/C5H11NO3S/c7-3-5-4-10(8,9)2-1-6-5/h5-7H,1-4H2/t5-/m0/s1

InChIKey

CGBSWCOIPWWGHT-YFKPBYRVSA-N

Compound name

[(3S)-1,1-dioxo-1,4-thiazinan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.04596 Da
Monoisotopic Mass: -1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.05324	132.5
[M+Na]+	188.03518	141.6
[M+NH4]+	183.07978	141.1
[M+K]+	204.00912	133.8
[M-H]-	164.03868	131.7
[M+Na-2H]-	186.02063	136.8
[M]+	165.04541	133.8
[M]-	165.04651	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.