CID 21790450

6,8-dimethoxycoumarin

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC(=C2C(=C1)C=CC(=O)O2)OC
InChI
InChI=1S/C11H10O4/c1-13-8-5-7-3-4-10(12)15-11(7)9(6-8)14-2/h3-6H,1-2H3
InChIKey
UQUJRRZSWGUHRN-UHFFFAOYSA-N
Compound name
6,8-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

206.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 137.8
[M+Na]+ 229.04712 148.8
[M-H]- 205.05062 144.2
[M+NH4]+ 224.09172 157.2
[M+K]+ 245.02106 148.4
[M+H-H2O]+ 189.05516 131.8
[M+HCOO]- 251.05610 161.8
[M+CH3COO]- 265.07175 185.7
[M+Na-2H]- 227.03257 147.2
[M]+ 206.05735 144.1
[M]- 206.05845 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.