CID 176454273

Chebi:234340

Structural Information

Molecular Formula
C15H20O8
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C15H20O8/c16-7-10-11(18)12(19)13(20)15(22-10)23-14(21)9(17)6-8-4-2-1-3-5-8/h1-5,9-13,15-20H,6-7H2/t9-,10-,11-,12+,13-,15+/m1/s1
InChIKey
DQDHUJRGSAIBJC-LREAXHOUSA-N
Compound name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1158 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.123076 172.3
[M+Na]+ 351.105018 175.6
[M-H]- 327.108524 172.5
[M+NH4]+ 346.149623 181.0
[M+K]+ 367.078958 174.7
[M+H-H2O]+ 311.113060 165.3
[M+HCOO]- 373.114001 183.1
[M+CH3COO]- 387.129651 197.8
[M+Na-2H]- 349.090466 170.9
[M]+ 328.11525142 170.2
[M]- 328.11634858 170.2
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.