CID 5319474

28843-40-5

Structural Information

Molecular Formula
C11H8O5
SMILES
COC1=C2C(=C3C(=C1)C=CC(=O)O3)OCO2
InChI
InChI=1S/C11H8O5/c1-13-7-4-6-2-3-8(12)16-9(6)11-10(7)14-5-15-11/h2-4H,5H2,1H3
InChIKey
GHIKZCCKJTXOGO-UHFFFAOYSA-N
Compound name
4-methoxy-[1,3]dioxolo[4,5-h]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

8
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

patents stripe