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
4
Annotation Hits

0
References

270
Patents

263.99734 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00462 151.1
[M+Na]+ 286.98656 155.3
[M-H]- 262.99006 144.8
[M+NH4]+ 282.03116 164.0
[M+K]+ 302.96050 152.0
[M+H-H2O]+ 246.99460 146.3
[M+HCOO]- 308.99554 155.1
[M+CH3COO]- 323.01119 179.2
[M+Na-2H]- 284.97201 152.6
[M]+ 263.99679 153.1
[M]- 263.99789 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe