CID 11344524

53211-00-0

Structural Information

Molecular Formula

C₄H₁₀O₅S

SMILES

C(COCCS(=O)(=O)O)O

InChI

InChI=1S/C4H10O5S/c5-1-2-9-3-4-10(6,7)8/h5H,1-4H2,(H,6,7,8)

InChIKey

HHOUUNSSXPYWKJ-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxy)ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1647
Patents: 170.02489 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]+	171.03217	131.7
[M+Na]+	193.01411	139.2
[M-H]-	169.01761	129.5
[M+NH4]+	188.05871	151.0
[M+K]+	208.98805	137.8
[M+H-H2O]+	153.02215	127.4
[M+HCOO]-	215.02309	147.6
[M+CH3COO]-	229.03874	168.5
[M+Na-2H]-	190.99956	136.2
[M]+	170.02434	135.7
[M]-	170.02544	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe