CID 13965334

2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C15H22O9
SMILES
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)CO
InChI
InChI=1S/C15H22O9/c1-21-8-3-7(5-16)4-9(22-2)14(8)24-15-13(20)12(19)11(18)10(6-17)23-15/h3-4,10-13,15-20H,5-6H2,1-2H3
InChIKey
RWIINOLFQCPJMH-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.12637 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13365 175.4
[M+Na]+ 369.11559 181.3
[M-H]- 345.11909 176.6
[M+NH4]+ 364.16019 184.4
[M+K]+ 385.08953 180.9
[M+H-H2O]+ 329.12363 168.3
[M+HCOO]- 391.12457 188.1
[M+CH3COO]- 405.14022 203.9
[M+Na-2H]- 367.10104 174.6
[M]+ 346.12582 178.1
[M]- 346.12692 178.1
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