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 168.4
[M+Na]+ 335.07372 176.8
[M+NH4]+ 330.11832 171.5
[M+K]+ 351.04766 175.6
[M-H]- 311.07722 168.1
[M+Na-2H]- 333.05917 168.5
[M]+ 312.08395 168.8
[M]- 312.08505 168.8
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

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