CID 57488655

Disodium maleoyl diisethionate

Structural Information

Molecular Formula
C8H12O10S2
SMILES
C(CS(=O)(=O)O)OC(=O)/C=C\C(=O)OCCS(=O)(=O)O
InChI
InChI=1S/C8H12O10S2/c9-7(17-3-5-19(11,12)13)1-2-8(10)18-4-6-20(14,15)16/h1-2H,3-6H2,(H,11,12,13)(H,14,15,16)/b2-1-
InChIKey
NGAYFLKUCNJGAU-UPHRSURJSA-N
Compound name
2-[(Z)-4-oxo-4-(2-sulfoethoxy)but-2-enoyl]oxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

331.98718 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.99446 166.3
[M+Na]+ 354.97640 170.5
[M-H]- 330.97990 162.4
[M+NH4]+ 350.02100 177.6
[M+K]+ 370.95034 167.7
[M+H-H2O]+ 314.98444 160.5
[M+HCOO]- 376.98538 173.5
[M+CH3COO]- 391.00103 192.3
[M+Na-2H]- 352.96185 168.4
[M]+ 331.98663 173.5
[M]- 331.98773 173.5
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

No patent data available for this compound.