CID 71812671

4-o-(alpha-l-rhamnopyranosyl)-hydroxybenzoate methyl ester

Structural Information

Molecular Formula
C14H18O7
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C(=O)OC)O)O)O
InChI
InChI=1S/C14H18O7/c1-7-10(15)11(16)12(17)14(20-7)21-9-5-3-8(4-6-9)13(18)19-2/h3-7,10-12,14-17H,1-2H3/t7-,10-,11+,12+,14-/m0/s1
InChIKey
ZNDWGXURYUDEAT-FNZUUINPSA-N
Compound name
methyl 4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

298.10526 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11254 164.4
[M+Na]+ 321.09448 170.6
[M-H]- 297.09798 168.1
[M+NH4]+ 316.13908 176.5
[M+K]+ 337.06842 170.3
[M+H-H2O]+ 281.10252 157.7
[M+HCOO]- 343.10346 179.6
[M+CH3COO]- 357.11911 196.9
[M+Na-2H]- 319.07993 164.9
[M]+ 298.10471 165.2
[M]- 298.10581 165.2
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.