CID 78385296

Schembl19144886

Structural Information

Molecular Formula
C14H18O10
SMILES
COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
InChI
InChI=1S/C14H18O10/c1-22-14-12(20)11(19)10(18)8(24-14)4-23-13(21)5-2-6(15)9(17)7(16)3-5/h2-3,8,10-12,14-20H,4H2,1H3
InChIKey
FNCIIGZVDLRIDE-UHFFFAOYSA-N
Compound name
(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

346.09 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09728 172.5
[M+Na]+ 369.07922 178.1
[M-H]- 345.08272 172.6
[M+NH4]+ 364.12382 180.5
[M+K]+ 385.05316 178.1
[M+H-H2O]+ 329.08726 165.7
[M+HCOO]- 391.08820 183.3
[M+CH3COO]- 405.10385 201.6
[M+Na-2H]- 367.06467 170.8
[M]+ 346.08945 173.2
[M]- 346.09055 173.2
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

patents stripe