CID 10658

Angelicin

Structural Information

Molecular Formula
C11H6O3
SMILES
C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3
InChI
InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
InChIKey
XDROKJSWHURZGO-UHFFFAOYSA-N
Compound name
furo[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

266
References

3056
Patents

186.0317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03898 130.5
[M+Na]+ 209.02092 143.4
[M-H]- 185.02442 138.9
[M+NH4]+ 204.06552 152.2
[M+K]+ 224.99486 142.4
[M+H-H2O]+ 169.02896 125.7
[M+HCOO]- 231.02990 155.5
[M+CH3COO]- 245.04555 147.0
[M+Na-2H]- 207.00637 142.5
[M]+ 186.03115 136.7
[M]- 186.03225 136.7
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