CID 13922637

41514-64-1

Structural Information

Molecular Formula
C15H22O9
SMILES
COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3
InChIKey
NBLLRWANAFOKON-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.12637 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13365 174.7
[M+Na]+ 369.11559 181.0
[M-H]- 345.11909 177.3
[M+NH4]+ 364.16019 184.4
[M+K]+ 385.08953 181.5
[M+H-H2O]+ 329.12363 167.4
[M+HCOO]- 391.12457 188.9
[M+CH3COO]- 405.14022 205.8
[M+Na-2H]- 367.10104 174.4
[M]+ 346.12582 179.2
[M]- 346.12692 179.2
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.