CID 52918156

5,6-dihydroxy-7-methoxy-2-methyl-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C11H10O5
SMILES
CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)O)O
InChI
InChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,1-2H3
InChIKey
PJUGYRBTUWDWFG-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

222.05283 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.060106 141.6
[M+Na]+ 245.042048 153.4
[M-H]- 221.045554 145.9
[M+NH4]+ 240.086653 159.4
[M+K]+ 261.015988 151.9
[M+H-H2O]+ 205.050090 136.2
[M+HCOO]- 267.051031 162.7
[M+CH3COO]- 281.066681 185.7
[M+Na-2H]- 243.027496 148.7
[M]+ 222.05228142 146.6
[M]- 222.05337858 146.6
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.