CID 6716

Visnagin

Structural Information

Molecular Formula
C13H10O4
SMILES
CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=CO3
InChI
InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
InChIKey
NZVQLVGOZRELTG-UHFFFAOYSA-N
Compound name
4-methoxy-7-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

86
References

278
Patents

230.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 143.5
[M+Na]+ 253.04712 160.0
[M+NH4]+ 248.09172 152.8
[M+K]+ 269.02106 155.5
[M-H]- 229.05062 149.2
[M+Na-2H]- 251.03257 149.4
[M]+ 230.05735 147.7
[M]- 230.05845 147.7
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