CID 10018247

4-(4'-o-acetyl-alpha-l-rhamnosyloxy)benzaldehyde

Structural Information

Molecular Formula
C15H18O7
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C=O)O)O)OC(=O)C
InChI
InChI=1S/C15H18O7/c1-8-14(21-9(2)17)12(18)13(19)15(20-8)22-11-5-3-10(7-16)4-6-11/h3-8,12-15,18-19H,1-2H3/t8-,12-,13+,14-,15-/m0/s1
InChIKey
YHVJUTOZYWQYSQ-QOWRVZOFSA-N
Compound name
[(2S,3R,4S,5R,6S)-6-(4-formylphenoxy)-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10526 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11254 168.2
[M+Na]+ 333.09448 178.6
[M+NH4]+ 328.13908 172.9
[M+K]+ 349.06842 175.7
[M-H]- 309.09798 170.0
[M+Na-2H]- 331.07993 170.5
[M]+ 310.10471 169.8
[M]- 310.10581 169.8
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

No patent data available for this compound.