CID 21593

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

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

80
Patents

249.9817 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98898 147.0
[M+Na]+ 272.97092 151.6
[M-H]- 248.97442 140.9
[M+NH4]+ 268.01552 160.4
[M+K]+ 288.94486 148.5
[M+H-H2O]+ 232.97896 142.4
[M+HCOO]- 294.97990 151.3
[M+CH3COO]- 308.99555 176.3
[M+Na-2H]- 270.95637 148.8
[M]+ 249.98115 148.6
[M]- 249.98225 148.6
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