CID 511903

Schembl29193275

Structural Information

Molecular Formula
C15H22O6
SMILES
CC(C)C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C15H22O6/c1-8(2)9-3-5-10(6-4-9)20-15-14(19)13(18)12(17)11(7-16)21-15/h3-6,8,11-19H,7H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey
FUSVKAZMBAHBBC-UXXRCYHCSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-propan-2-ylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

298.14163 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14891 168.5
[M+Na]+ 321.13085 173.7
[M-H]- 297.13435 170.6
[M+NH4]+ 316.17545 179.9
[M+K]+ 337.10479 172.1
[M+H-H2O]+ 281.13889 161.9
[M+HCOO]- 343.13983 181.3
[M+CH3COO]- 357.15548 196.7
[M+Na-2H]- 319.11630 167.7
[M]+ 298.14108 167.1
[M]- 298.14218 167.1
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.