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]+ 311.112536 166.8
[M+Na]+ 333.094478 173.4
[M-H]- 309.097984 171.8
[M+NH4]+ 328.139083 179.0
[M+K]+ 349.068418 173.0
[M+H-H2O]+ 293.102520 159.8
[M+HCOO]- 355.103461 183.4
[M+CH3COO]- 369.119111 201.3
[M+Na-2H]- 331.079926 167.3
[M]+ 310.10471142 169.1
[M]- 310.10580858 169.1
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.