CID 154699538

Ns00117300

Structural Information

Molecular Formula
C14H16O8
SMILES
CC(=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/C14H16O8/c1-6(15)7-2-4-8(5-3-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h2-5,9-12,14,16-18H,1H3,(H,19,20)/t9-,10-,11+,12-,14?/m0/s1
InChIKey
CXEPHEQPBJSNGZ-ZAOAHOKWSA-N
Compound name
(2S,3S,4S,5R)-6-(4-acetylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0845 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09178 167.0
[M+Na]+ 335.07372 175.6
[M+NH4]+ 330.11832 170.4
[M+K]+ 351.04766 175.0
[M-H]- 311.07722 167.0
[M+Na-2H]- 333.05917 167.5
[M]+ 312.08395 167.6
[M]- 312.08505 167.6
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.