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]+ 209.04445 137.0
[M+Na]+ 231.02639 148.3
[M-H]- 207.02989 141.1
[M+NH4]+ 226.07099 155.1
[M+K]+ 247.00033 147.0
[M+H-H2O]+ 191.03443 131.6
[M+HCOO]- 253.03537 158.5
[M+CH3COO]- 267.05102 181.4
[M+Na-2H]- 229.01184 145.4
[M]+ 208.03662 141.3
[M]- 208.03772 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.