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: 28
Patents: 324.10565 Da
Monoisotopic Mass: -3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	325.112926	167.8
[M+Na]+	347.094868	170.6
[M-H]-	323.098374	163.5
[M+NH4]+	342.139473	177.6
[M+K]+	363.068808	171.3
[M+H-H2O]+	307.102910	162.0
[M+HCOO]-	369.103851	179.5
[M+CH3COO]-	383.119501	194.7
[M+Na-2H]-	345.080316	164.8
[M]+	324.10510142	170.4
[M]-	324.10619858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe