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
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 131.5
[M+Na]+ 190.99847 138.5
[M-H]- 167.00197 127.9
[M+NH4]+ 186.04307 150.0
[M+K]+ 206.97241 136.1
[M+H-H2O]+ 151.00651 127.5
[M+HCOO]- 213.00745 145.0
[M+CH3COO]- 227.02310 165.3
[M+Na-2H]- 188.98392 134.3
[M]+ 168.00870 132.1
[M]- 168.00980 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.