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
3
Annotation Hits

86
References

294
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 143.7
[M+Na]+ 253.04712 157.2
[M-H]- 229.05062 152.4
[M+NH4]+ 248.09172 164.0
[M+K]+ 269.02106 156.5
[M+H-H2O]+ 213.05516 138.7
[M+HCOO]- 275.05610 168.0
[M+CH3COO]- 289.07175 159.8
[M+Na-2H]- 251.03257 153.2
[M]+ 230.05735 152.7
[M]- 230.05845 152.7
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