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]+ 223.06011 141.6
[M+Na]+ 245.04205 153.4
[M-H]- 221.04555 145.9
[M+NH4]+ 240.08665 159.4
[M+K]+ 261.01599 151.9
[M+H-H2O]+ 205.05009 136.2
[M+HCOO]- 267.05103 162.7
[M+CH3COO]- 281.06668 185.7
[M+Na-2H]- 243.02750 148.7
[M]+ 222.05228 146.6
[M]- 222.05338 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.