CID 3083726

8-hydroxybergapten

Structural Information

Molecular Formula
C12H8O5
SMILES
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O
InChI
InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3
InChIKey
MVJHUMZXIJPVHV-UHFFFAOYSA-N
Compound name
9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

23
Patents

232.03717 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04445 142.9
[M+Na]+ 255.02639 158.6
[M+NH4]+ 250.07099 151.4
[M+K]+ 271.00033 155.1
[M-H]- 231.02989 147.6
[M+Na-2H]- 253.01184 148.0
[M]+ 232.03662 146.6
[M]- 232.03772 146.6
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