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]+ 329.12308 172.3
[M+Na]+ 351.10502 175.6
[M-H]- 327.10852 172.5
[M+NH4]+ 346.14962 181.0
[M+K]+ 367.07896 174.7
[M+H-H2O]+ 311.11306 165.3
[M+HCOO]- 373.11400 183.1
[M+CH3COO]- 387.12965 197.8
[M+Na-2H]- 349.09047 170.9
[M]+ 328.11525 170.2
[M]- 328.11635 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.