CID 6912968

Sodium 1,4-dihydroxy-2-butene-2-sulphonate

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
1
Annotation Hits

0
References

0
Patents

168.00925 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01653 133.9
[M+Na]+ 190.99847 140.4
[M+NH4]+ 186.04307 138.6
[M+K]+ 206.97241 137.2
[M-H]- 167.00197 128.8
[M+Na-2H]- 188.98392 133.4
[M]+ 168.00870 133.2
[M]- 168.00980 133.2
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.