CID 131751380

Methyl salicylate o-[rhamnosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C20H28O12
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=CC=C3C(=O)OC)O)O)O)O)O)O
InChI
InChI=1S/C20H28O12/c1-8-12(21)14(23)16(25)19(30-8)29-7-11-13(22)15(24)17(26)20(32-11)31-10-6-4-3-5-9(10)18(27)28-2/h3-6,8,11-17,19-26H,7H2,1-2H3
InChIKey
CTLIPTKQWTWERE-UHFFFAOYSA-N
Compound name
methyl 2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.15808 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.16536 203.0
[M+Na]+ 483.14730 205.3
[M-H]- 459.15080 206.0
[M+NH4]+ 478.19190 204.5
[M+K]+ 499.12124 207.6
[M+H-H2O]+ 443.15534 194.4
[M+HCOO]- 505.15628 208.0
[M+CH3COO]- 519.17193 226.4
[M+Na-2H]- 481.13275 198.3
[M]+ 460.15753 203.8
[M]- 460.15863 203.8
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.