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]+ 313.09178 167.1
[M+Na]+ 335.07372 172.5
[M-H]- 311.07722 167.9
[M+NH4]+ 330.11832 176.9
[M+K]+ 351.04766 170.6
[M+H-H2O]+ 295.08176 160.4
[M+HCOO]- 357.08270 179.4
[M+CH3COO]- 371.09835 194.0
[M+Na-2H]- 333.05917 166.7
[M]+ 312.08395 164.9
[M]- 312.08505 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.