CID 21593

5450-96-4

Structural Information

Molecular Formula

C₄H₁₀O₈S₂

SMILES

C(CC(O)S(=O)(=O)O)C(O)S(=O)(=O)O

InChI

InChI=1S/C4H10O8S2/c5-3(13(7,8)9)1-2-4(6)14(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)

InChIKey

SBHPIPPMYYFSHJ-UHFFFAOYSA-N

Compound name

1,4-dihydroxybutane-1,4-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 64
Patents: 249.9817 Da
Monoisotopic Mass: -2.3
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]+	250.98898	151.2
[M+Na]+	272.97092	154.0
[M+NH4]+	268.01552	153.2
[M+K]+	288.94486	152.9
[M-H]-	248.97442	143.0
[M+Na-2H]-	270.95637	147.6
[M]+	249.98115	149.4
[M]-	249.98225	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe