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]+ 221.04445 139.2
[M+Na]+ 243.02639 150.6
[M-H]- 219.02989 147.7
[M+NH4]+ 238.07099 158.0
[M+K]+ 259.00033 152.1
[M+H-H2O]+ 203.03443 134.5
[M+HCOO]- 265.03537 160.5
[M+CH3COO]- 279.05102 154.6
[M+Na-2H]- 241.01184 149.4
[M]+ 220.03662 146.4
[M]- 220.03772 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.