CID 131751300

Sphalleroside a

Structural Information

Molecular Formula
C16H22O8
SMILES
COC1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)CC=C)O
InChI
InChI=1S/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3
InChIKey
PCHIAQZAMZOONE-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2-methoxy-5-prop-2-enylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13147 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13875 176.8
[M+Na]+ 365.12069 182.8
[M-H]- 341.12419 177.9
[M+NH4]+ 360.16529 186.0
[M+K]+ 381.09463 180.9
[M+H-H2O]+ 325.12873 169.9
[M+HCOO]- 387.12967 189.1
[M+CH3COO]- 401.14532 203.8
[M+Na-2H]- 363.10614 175.3
[M]+ 342.13092 177.7
[M]- 342.13202 177.7
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

No patent data available for this compound.