CID 132471355

Boron ascorbate

Structural Information

Molecular Formula
C18H21BO18
SMILES
B(OC1=C(C(=O)O[C@@H]1[C@H](CO)O)O)(OC2=C(C(=O)O[C@@H]2[C@H](CO)O)O)OC3=C(C(=O)O[C@@H]3[C@H](CO)O)O
InChI
InChI=1S/C18H21BO18/c20-1-4(23)10-13(7(26)16(29)32-10)35-19(36-14-8(27)17(30)33-11(14)5(24)2-21)37-15-9(28)18(31)34-12(15)6(25)3-22/h4-6,10-12,20-28H,1-3H2/t4-,5-,6-,10+,11+,12+/m0/s1
InChIKey
LAZBVBIPJSNYRC-JVAGFUCOSA-N
Compound name
tris[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.0821 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.089376 220.0
[M+Na]+ 559.071318 219.8
[M-H]- 535.074824 220.6
[M+NH4]+ 554.115923 221.4
[M+K]+ 575.045258 229.5
[M+H-H2O]+ 519.079360 211.4
[M+HCOO]- 581.080301 223.4
[M+CH3COO]- 595.095951 227.6
[M+Na-2H]- 557.056766 232.1
[M]+ 536.08155142 222.9
[M]- 536.08264858 222.9
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

No patent data available for this compound.