CID 22376358

Myzodendrone

Structural Information

Molecular Formula
C16H22O8
SMILES
CC(=O)CCC1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H22O8/c1-8(18)2-3-9-4-5-10(19)11(6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,12-17,19-22H,2-3,7H2,1H3
InChIKey
LMPCSMHAJDXHSV-UHFFFAOYSA-N
Compound name
4-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.13147 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13875 176.7
[M+Na]+ 365.12069 181.5
[M-H]- 341.12419 177.4
[M+NH4]+ 360.16529 185.5
[M+K]+ 381.09463 180.1
[M+H-H2O]+ 325.12873 169.8
[M+HCOO]- 387.12967 188.1
[M+CH3COO]- 401.14532 203.3
[M+Na-2H]- 363.10614 174.6
[M]+ 342.13092 176.5
[M]- 342.13202 176.5
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

No patent data available for this compound.