CID 109288

68310-08-7

Structural Information

Molecular Formula

C₅H₁₂O₈S₂

SMILES

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

InChI

InChI=1S/C5H12O8S2/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13)

InChIKey

YVGZCLMIVQGEPB-UHFFFAOYSA-N

Compound name

1,5-dihydroxypentane-1,5-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 262
Patents: 263.99734 Da
Monoisotopic Mass: -2.0
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]+	265.00462	155.0
[M+Na]+	286.98656	157.6
[M+NH4]+	282.03116	156.9
[M+K]+	302.96050	156.3
[M-H]-	262.99006	146.8
[M+Na-2H]-	284.97201	151.3
[M]+	263.99679	153.2
[M]-	263.99789	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe