CID 6912968

2-butene-2-sulfonic acid, 1,4-dihydroxy-, sodium salt (1:1)

Structural Information

Molecular Formula
C4H8O5S
SMILES
C(/C=C(/CO)\S(=O)(=O)O)O
InChI
InChI=1S/C4H8O5S/c5-2-1-4(3-6)10(7,8)9/h1,5-6H,2-3H2,(H,7,8,9)/b4-1-
InChIKey
KOGFAKZDUZPOHG-RJRFIUFISA-N
Compound name
(Z)-1,4-dihydroxybut-2-ene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

168.00925 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.016526 131.5
[M+Na]+ 190.998468 138.5
[M-H]- 167.001974 127.9
[M+NH4]+ 186.043073 150.0
[M+K]+ 206.972408 136.1
[M+H-H2O]+ 151.006510 127.5
[M+HCOO]- 213.007451 145.0
[M+CH3COO]- 227.023101 165.3
[M+Na-2H]- 188.983916 134.3
[M]+ 168.00870142 132.1
[M]- 168.00979858 132.1
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

No patent data available for this compound.