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]+ 299.112536 164.4
[M+Na]+ 321.094478 170.6
[M-H]- 297.097984 168.1
[M+NH4]+ 316.139083 176.5
[M+K]+ 337.068418 170.3
[M+H-H2O]+ 281.102520 157.7
[M+HCOO]- 343.103461 179.6
[M+CH3COO]- 357.119111 196.9
[M+Na-2H]- 319.079926 164.9
[M]+ 298.10471142 165.2
[M]- 298.10580858 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.