CID 91820072

Cis-(-)-dmdi

Structural Information

Molecular Formula
C16H14O6
SMILES
C1[C@H]([C@H](C2=C(O1)C=C(C=C2)O)O)C3=CC4=C(C=C3O)OCO4
InChI
InChI=1S/C16H14O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,16-19H,6-7H2/t11-,16-/m0/s1
InChIKey
VGLBFRZJJZBAST-ZBEGNZNMSA-N
Compound name
(3R,4R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-4,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

302.07904 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 163.9
[M+Na]+ 325.06826 172.3
[M-H]- 301.07176 171.2
[M+NH4]+ 320.11286 176.9
[M+K]+ 341.04220 171.5
[M+H-H2O]+ 285.07630 158.3
[M+HCOO]- 347.07724 177.2
[M+CH3COO]- 361.09289 175.3
[M+Na-2H]- 323.05371 168.9
[M]+ 302.07849 165.1
[M]- 302.07959 165.1
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