CID 129982013

1824145-86-9

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

CN1C(CCS1(=O)=O)CO

InChI

InChI=1S/C5H11NO3S/c1-6-5(4-7)2-3-10(6,8)9/h5,7H,2-4H2,1H3

InChIKey

GPEFZKYJMOJXNN-UHFFFAOYSA-N

Compound name

(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.04596 Da
Monoisotopic Mass: -1.0
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	133.9
[M+Na]+	188.03518	142.8
[M+NH4]+	183.07978	142.5
[M+K]+	204.00912	136.8
[M-H]-	164.03868	132.8
[M+Na-2H]-	186.02063	137.3
[M]+	165.04541	135.1
[M]-	165.04651	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.