CID 154699659

Ns00117407

Structural Information

Molecular Formula
C16H20O9
SMILES
CCCOC(=O)C1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C16H20O9/c1-2-7-23-15(22)8-3-5-9(6-4-8)24-16-12(19)10(17)11(18)13(25-16)14(20)21/h3-6,10-13,16-19H,2,7H2,1H3,(H,20,21)/t10-,11-,12+,13-,16?/m0/s1
InChIKey
HVFINIMQRFKIPD-PACLMXLRSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-propoxycarbonylphenoxy)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11072 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11800 178.4
[M+Na]+ 379.09994 186.1
[M+NH4]+ 374.14454 180.9
[M+K]+ 395.07388 185.6
[M-H]- 355.10344 177.8
[M+Na-2H]- 377.08539 178.0
[M]+ 356.11017 178.7
[M]- 356.11127 178.7
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.