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

51
Patents

190.01135 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.018626 131.5
[M+Na]+ 213.000568 139.2
[M-H]- 189.004074 132.2
[M+NH4]+ 208.045173 151.1
[M+K]+ 228.974508 139.9
[M+H-H2O]+ 173.008610 128.6
[M+HCOO]- 235.009551 149.3
[M+CH3COO]- 249.025201 171.8
[M+Na-2H]- 210.986016 135.0
[M]+ 190.01080142 131.1
[M]- 190.01189858 131.1
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

patents stripe