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
5
Annotation Hits

0
References

791
Patents

328.1158 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12308 171.5
[M+Na]+ 351.10502 177.5
[M-H]- 327.10852 173.8
[M+NH4]+ 346.14962 181.7
[M+K]+ 367.07896 176.4
[M+H-H2O]+ 311.11306 164.4
[M+HCOO]- 373.11400 185.8
[M+CH3COO]- 387.12965 201.3
[M+Na-2H]- 349.09047 171.6
[M]+ 328.11525 173.4
[M]- 328.11635 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