CID 154699519

Ns00117282

Structural Information

Molecular Formula
C15H16O10
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O
InChI
InChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15?/m0/s1
InChIKey
BSOMSDFTZKNUHY-DXCVSUPFSA-N
Compound name
(2S,3S,4S,5R)-6-[5-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

356.07434 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08162 176.5
[M+Na]+ 379.06356 183.1
[M+NH4]+ 374.10816 177.5
[M+K]+ 395.03750 184.2
[M-H]- 355.06706 174.2
[M+Na-2H]- 377.04901 174.4
[M]+ 356.07379 175.9
[M]- 356.07489 175.9
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.