CID 71590741

5,6-dihydroxy-7-methoxy-chromen-4-one

Structural Information

Molecular Formula
C10H8O5
SMILES
COC1=C(C(=C2C(=O)C=COC2=C1)O)O
InChI
InChI=1S/C10H8O5/c1-14-7-4-6-8(10(13)9(7)12)5(11)2-3-15-6/h2-4,12-13H,1H3
InChIKey
JANFUTOCHBHFRD-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.03717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.044446 137.0
[M+Na]+ 231.026388 148.3
[M-H]- 207.029894 141.1
[M+NH4]+ 226.070993 155.1
[M+K]+ 247.000328 147.0
[M+H-H2O]+ 191.034430 131.6
[M+HCOO]- 253.035371 158.5
[M+CH3COO]- 267.051021 181.4
[M+Na-2H]- 229.011836 145.4
[M]+ 208.03662142 141.3
[M]- 208.03771858 141.3
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.