CID 24847856

Refchem:1068373

Structural Information

Molecular Formula
C20H36O14
SMILES
CC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)OC)O)O)OC)O)O
InChI
InChI=1S/C20H36O14/c1-7-11(23)18(12(24)9(4-21)32-7)34-20-15(27)17(29-3)13(25)10(33-20)6-31-19-14(26)16(28-2)8(22)5-30-19/h7-27H,4-6H2,1-3H3
InChIKey
SATHPVQTSSUFFW-UHFFFAOYSA-N
Compound name
4-[6-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

755
References

18588
Patents

500.2105 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.217776 214.8
[M+Na]+ 523.199718 214.8
[M-H]- 499.203224 216.4
[M+NH4]+ 518.244323 212.9
[M+K]+ 539.173658 219.3
[M+H-H2O]+ 483.207760 206.3
[M+HCOO]- 545.208701 214.0
[M+CH3COO]- 559.224351 235.8
[M+Na-2H]- 521.185166 243.3
[M]+ 500.20995142 216.8
[M]- 500.21104858 216.8
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

No patent data available for this compound.