CID 44123502

L-dehydroascorbate anion

Structural Information

Molecular Formula
C6H6O6
SMILES
C([C@@H](C1=C(C(=O)C(=O)O1)O)O)O
InChI
InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-9H,1H2/t2-/m0/s1
InChIKey
JMMUPWYGEQCUML-REOHCLBHSA-N
Compound name
5-[(1S)-1,2-dihydroxyethyl]-4-hydroxyfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1044
Patents

174.01643 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.023706 129.3
[M+Na]+ 197.005648 138.1
[M-H]- 173.009154 130.4
[M+NH4]+ 192.050253 148.1
[M+K]+ 212.979588 137.9
[M+H-H2O]+ 157.013690 125.3
[M+HCOO]- 219.014631 149.2
[M+CH3COO]- 233.030281 170.6
[M+Na-2H]- 194.991096 132.5
[M]+ 174.01588142 130.1
[M]- 174.01697858 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.