CID 11023363

[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C14H16O8
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O
InChI
InChI=1S/C14H16O8/c15-8-3-1-7(5-9(8)16)2-4-11(18)22-14-13(20)12(19)10(17)6-21-14/h1-5,10,12-17,19-20H,6H2/b4-2+/t10-,12+,13-,14+/m1/s1
InChIKey
PSYRONNZYLYIOG-RBBVTJSLSA-N
Compound name
[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.0845 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.091776 167.1
[M+Na]+ 335.073718 172.5
[M-H]- 311.077224 167.9
[M+NH4]+ 330.118323 176.9
[M+K]+ 351.047658 170.6
[M+H-H2O]+ 295.081760 160.4
[M+HCOO]- 357.082701 179.4
[M+CH3COO]- 371.098351 194.0
[M+Na-2H]- 333.059166 166.7
[M]+ 312.08395142 164.9
[M]- 312.08504858 164.9
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.