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]+	166.053236	130.7
[M+Na]+	188.035178	138.0
[M-H]-	164.038684	130.1
[M+NH4]+	183.079783	150.9
[M+K]+	204.009118	135.4
[M+H-H2O]+	148.043220	126.2
[M+HCOO]-	210.044161	143.6
[M+CH3COO]-	224.059811	166.9
[M+Na-2H]-	186.020626	134.5
[M]+	165.04541142	127.6
[M]-	165.04650858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.