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

1181
Patents

174.01643 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02371 129.3
[M+Na]+ 197.00565 138.1
[M-H]- 173.00915 130.4
[M+NH4]+ 192.05025 148.1
[M+K]+ 212.97959 137.9
[M+H-H2O]+ 157.01369 125.3
[M+HCOO]- 219.01463 149.2
[M+CH3COO]- 233.03028 170.6
[M+Na-2H]- 194.99110 132.5
[M]+ 174.01588 130.1
[M]- 174.01698 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.