CID 131752609

Citrusin d

Structural Information

Molecular Formula
C16H22O8
SMILES
COC1=C(C=CC(=C1)/C=C\COC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2-
InChIKey
JOIDTHZGWZZGMU-IHWYPQMZSA-N
Compound name
2-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]-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 178.1
[M+Na]+ 365.12069 186.8
[M+NH4]+ 360.16529 181.3
[M+K]+ 381.09463 184.5
[M-H]- 341.12419 178.3
[M+Na-2H]- 363.10614 178.0
[M]+ 342.13092 178.8
[M]- 342.13202 178.8
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.