CID 112575

4-hydroxy-2-butanesulfonic acid

Structural Information

Molecular Formula

C₄H₁₀O₄S

SMILES

CC(CCO)S(=O)(=O)O

InChI

InChI=1S/C4H10O4S/c1-4(2-3-5)9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)

InChIKey

LCWMHNKAZGZKAQ-UHFFFAOYSA-N

Compound name

4-hydroxybutane-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 154.02998 Da
Monoisotopic Mass: -0.8
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]+	155.03726	128.9
[M+Na]+	177.01920	136.3
[M-H]-	153.02270	126.8
[M+NH4]+	172.06380	148.9
[M+K]+	192.99314	134.9
[M+H-H2O]+	137.02724	124.9
[M+HCOO]-	199.02818	143.5
[M+CH3COO]-	213.04383	167.2
[M+Na-2H]-	175.00465	132.1
[M]+	154.02943	130.8
[M]-	154.03053	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe