CID 146049829

2413904-13-7

Structural Information

Molecular Formula

C₄H₁₁NO₃S

SMILES

C(CS(=N)(=O)CCO)O

InChI

InChI=1S/C4H11NO3S/c5-9(8,3-1-6)4-2-7/h5-7H,1-4H2

InChIKey

ZECCKHBNTBYKCW-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylsulfonimidoyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.04596 Da
Monoisotopic Mass: -0.5
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	129.6
[M+Na]+	176.03518	136.5
[M-H]-	152.03868	127.3
[M+NH4]+	171.07978	149.3
[M+K]+	192.00912	133.9
[M+H-H2O]+	136.04322	125.1
[M+HCOO]-	198.04416	145.9
[M+CH3COO]-	212.05981	169.2
[M+Na-2H]-	174.02063	134.1
[M]+	153.04541	129.8
[M]-	153.04651	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.