CID 71587606

Methylsilanol ascorbate

Structural Information

Molecular Formula
C7H12O8Si
SMILES
C[Si](O)(O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
InChI
InChI=1S/C7H12O8Si/c1-16(12,13)14-2-3(8)6-4(9)5(10)7(11)15-6/h3,6,8-10,12-13H,2H2,1H3/t3-,6+/m0/s1
InChIKey
DWMGLUVISSMERV-BBIVZNJYSA-N
Compound name
(2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1657
Patents

252.03015 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03743 146.7
[M+Na]+ 275.01937 153.2
[M-H]- 251.02287 144.6
[M+NH4]+ 270.06397 161.3
[M+K]+ 290.99331 153.3
[M+H-H2O]+ 235.02741 142.6
[M+HCOO]- 297.02835 161.3
[M+CH3COO]- 311.04400 178.5
[M+Na-2H]- 273.00482 149.3
[M]+ 252.02960 147.6
[M]- 252.03070 147.6
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