CID 67267795

3-glyceryl ascorbate

Structural Information

Molecular Formula
C9H14O8
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)OCC(CO)O)O)O
InChI
InChI=1S/C9H14O8/c10-1-4(12)3-16-8-6(14)9(15)17-7(8)5(13)2-11/h4-5,7,10-14H,1-3H2/t4?,5-,7+/m0/s1
InChIKey
IQHNEQZYMGDQDV-ACFLWUFDSA-N
Compound name
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2,3-dihydroxypropoxy)-4-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

250.06886 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07614 150.4
[M+Na]+ 273.05808 155.9
[M-H]- 249.06158 148.0
[M+NH4]+ 268.10268 164.3
[M+K]+ 289.03202 155.8
[M+H-H2O]+ 233.06612 145.5
[M+HCOO]- 295.06706 165.3
[M+CH3COO]- 309.08271 181.8
[M+Na-2H]- 271.04353 150.1
[M]+ 250.06831 151.5
[M]- 250.06941 151.5
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