CID 12314983

Robinetinidol

Structural Information

Molecular Formula
C15H14O6
SMILES
C1[C@@H]([C@H](OC2=C1C=CC(=C2)O)C3=CC(=C(C(=C3)O)O)O)O
InChI
InChI=1S/C15H14O6/c16-9-2-1-7-3-12(19)15(21-13(7)6-9)8-4-10(17)14(20)11(18)5-8/h1-2,4-6,12,15-20H,3H2/t12-,15+/m0/s1
InChIKey
GMPPKSLKMRADRM-SWLSCSKDSA-N
Compound name
5-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

675
Patents

290.07904 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 162.6
[M+Na]+ 313.06826 170.8
[M-H]- 289.07176 165.4
[M+NH4]+ 308.11286 174.9
[M+K]+ 329.04220 167.5
[M+H-H2O]+ 273.07630 156.2
[M+HCOO]- 335.07724 176.0
[M+CH3COO]- 349.09289 192.8
[M+Na-2H]- 311.05371 166.0
[M]+ 290.07849 160.9
[M]- 290.07959 160.9
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

patents stripe