CID 44257144

Robinetinidol-4alpha-ol

Structural Information

Molecular Formula
C15H14O7
SMILES
C1=CC2=C(C=C1O)O[C@@H]([C@H]([C@@H]2O)O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H14O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,12,14-21H/t12-,14+,15-/m1/s1
InChIKey
OIDNVHGBTSUBEW-VHDGCEQUSA-N
Compound name
(2R,3S,4R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07394 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08122 166.1
[M+Na]+ 329.06316 174.4
[M-H]- 305.06666 167.8
[M+NH4]+ 324.10776 177.2
[M+K]+ 345.03710 171.3
[M+H-H2O]+ 289.07120 159.7
[M+HCOO]- 351.07214 178.0
[M+CH3COO]- 365.08779 194.9
[M+Na-2H]- 327.04861 168.5
[M]+ 306.07339 164.5
[M]- 306.07449 164.5
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.