CID 85906346

2-hydroxyethyl-com

Structural Information

Molecular Formula

C₄H₁₀O₄S₂

SMILES

C(CSCCS(=O)(=O)O)O

InChI

InChI=1S/C4H10O4S2/c5-1-2-9-3-4-10(6,7)8/h5H,1-4H2,(H,6,7,8)

InChIKey

RGEIKIHAMPCDGR-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylsulfanyl)ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2
Patents: 186.00204 Da
Monoisotopic Mass: -0.9
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]+	187.00932	136.0
[M+Na]+	208.99126	143.0
[M-H]-	184.99476	133.2
[M+NH4]+	204.03586	154.5
[M+K]+	224.96520	139.3
[M+H-H2O]+	168.99930	131.3
[M+HCOO]-	231.00024	145.7
[M+CH3COO]-	245.01589	171.5
[M+Na-2H]-	206.97671	137.9
[M]+	186.00149	138.9
[M]-	186.00259	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe