CID 11163251

122397-96-0

Structural Information

Molecular Formula
C15H20O8
SMILES
CCOC1=C(C=CC(=C1)C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C15H20O8/c1-2-21-10-5-8(6-16)3-4-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h3-6,11-15,17-20H,2,7H2,1H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey
SWESETWDPGZBCR-UXXRCYHCSA-N
Compound name
3-ethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

543
Patents

328.1158 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.123076 171.5
[M+Na]+ 351.105018 177.5
[M-H]- 327.108524 173.8
[M+NH4]+ 346.149623 181.7
[M+K]+ 367.078958 176.4
[M+H-H2O]+ 311.113060 164.4
[M+HCOO]- 373.114001 185.8
[M+CH3COO]- 387.129651 201.3
[M+Na-2H]- 349.090466 171.6
[M]+ 328.11525142 173.4
[M]- 328.11634858 173.4
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

patents stripe