CID 67266658

Bis-glyceryl ascorbate

Structural Information

Molecular Formula
C12H20O10
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)OCC(CO)O)OCC(CO)O)O)O
InChI
InChI=1S/C12H20O10/c13-1-6(16)4-20-10-9(8(18)3-15)22-12(19)11(10)21-5-7(17)2-14/h6-9,13-18H,1-5H2/t6?,7?,8-,9+/m0/s1
InChIKey
NAQQWVCPJFBHCV-ABIFROTESA-N
Compound name
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis(2,3-dihydroxypropoxy)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

324.10565 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11293 167.8
[M+Na]+ 347.09487 170.6
[M-H]- 323.09837 163.5
[M+NH4]+ 342.13947 177.6
[M+K]+ 363.06881 171.3
[M+H-H2O]+ 307.10291 162.0
[M+HCOO]- 369.10385 179.5
[M+CH3COO]- 383.11950 194.7
[M+Na-2H]- 345.08032 164.8
[M]+ 324.10510 170.4
[M]- 324.10620 170.4
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

patents stripe