CID 162640028

4-deoxy-4-sulfo-d-erythrose

Structural Information

Molecular Formula
C4H8O6S
SMILES
C([C@H]([C@H](C=O)O)O)S(=O)(=O)O
InChI
InChI=1S/C4H8O6S/c5-1-3(6)4(7)2-11(8,9)10/h1,3-4,6-7H,2H2,(H,8,9,10)/t3-,4+/m0/s1
InChIKey
PJVQIWBXSIOYLU-IUYQGCFVSA-N
Compound name
(2S,3R)-2,3-dihydroxy-4-oxobutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.00417 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01145 133.5
[M+Na]+ 206.99339 140.0
[M-H]- 182.99689 129.8
[M+NH4]+ 202.03799 151.1
[M+K]+ 222.96733 138.6
[M+H-H2O]+ 167.00143 129.3
[M+HCOO]- 229.00237 146.2
[M+CH3COO]- 243.01802 169.1
[M+Na-2H]- 204.97884 135.6
[M]+ 184.00362 135.1
[M]- 184.00472 135.1
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.