CID 13704005

8-methoxy-6,7-methylenedioxycoumarin

Structural Information

Molecular Formula
C11H8O5
SMILES
COC1=C2C(=CC3=C1OCO3)C=CC(=O)O2
InChI
InChI=1S/C11H8O5/c1-13-11-9-6(2-3-8(12)16-9)4-7-10(11)15-5-14-7/h2-4H,5H2,1H3
InChIKey
GDJFGAQXNUYMPM-UHFFFAOYSA-N
Compound name
4-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

220.03717 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.044446 139.2
[M+Na]+ 243.026388 150.6
[M-H]- 219.029894 147.7
[M+NH4]+ 238.070993 158.0
[M+K]+ 259.000328 152.1
[M+H-H2O]+ 203.034430 134.5
[M+HCOO]- 265.035371 160.5
[M+CH3COO]- 279.051021 154.6
[M+Na-2H]- 241.011836 149.4
[M]+ 220.03662142 146.4
[M]- 220.03771858 146.4
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.