CID 155820050

2470279-05-9

Structural Information

Molecular Formula

C₄H₁₁NO₃S

SMILES

CS(=O)(=O)C[C@H](CO)N

InChI

InChI=1S/C4H11NO3S/c1-9(7,8)3-4(5)2-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1

InChIKey

VAPXJUSIEXVLPQ-BYPYZUCNSA-N

Compound name

(2S)-2-amino-3-methylsulfonylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.04596 Da
Monoisotopic Mass: -2.0
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]+	154.05324	129.7
[M+Na]+	176.03518	136.7
[M-H]-	152.03868	128.4
[M+NH4]+	171.07978	149.8
[M+K]+	192.00912	135.2
[M+H-H2O]+	136.04322	125.1
[M+HCOO]-	198.04416	145.8
[M+CH3COO]-	212.05981	171.9
[M+Na-2H]-	174.02063	132.5
[M]+	153.04541	130.1
[M]-	153.04651	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.