CID 44297422

Chembl300850

Structural Information

Molecular Formula
C11H8O5
SMILES
COC1=C2C=CC(=O)OC2=C3C(=C1)OCO3
InChI
InChI=1S/C11H8O5/c1-13-7-4-8-11(15-5-14-8)10-6(7)2-3-9(12)16-10/h2-4H,5H2,1H3
InChIKey
QRKSJJWXUFPDKG-UHFFFAOYSA-N
Compound name
5-methoxy-[1,3]dioxolo[4,5-h]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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

patents stripe