CID 3083928

Dimethylfraxetin

Structural Information

Molecular Formula

C₁₂H₁₂O₅

SMILES

COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC

InChI

InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3

InChIKey

RAYQKHLZHPFYEJ-UHFFFAOYSA-N

Compound name

6,7,8-trimethoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 48
Patents: 236.06847 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.07575	146.3
[M+Na]+	259.05769	161.2
[M+NH4]+	254.10229	154.1
[M+K]+	275.03163	155.6
[M-H]-	235.06119	149.6
[M+Na-2H]-	257.04314	152.2
[M]+	236.06792	149.4
[M]-	236.06902	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe