CID 9991606

Garcinia lactone

Structural Information

Molecular Formula
C6H6O7
SMILES
C1C(=O)O[C@@H]([C@@]1(C(=O)O)O)C(=O)O
InChI
InChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6+/m1/s1
InChIKey
PFHZIWAVXDSFTB-CVYQJGLWSA-N
Compound name
(2S,3S)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

190.01135 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01863 135.4
[M+Na]+ 213.00057 141.7
[M+NH4]+ 208.04517 140.7
[M+K]+ 228.97451 142.1
[M-H]- 189.00407 132.5
[M+Na-2H]- 210.98602 135.9
[M]+ 190.01080 134.9
[M]- 190.01190 134.9
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.