CID 106648

2,3-dihydroxanthotoxol

Structural Information

Molecular Formula
C11H8O4
SMILES
C1COC2=C1C=C3C=CC(=O)OC3=C2O
InChI
InChI=1S/C11H8O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-2,5,13H,3-4H2
InChIKey
GWDMSCZQYHAETO-UHFFFAOYSA-N
Compound name
9-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

204.04225 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 136.0
[M+Na]+ 227.03147 147.0
[M-H]- 203.03497 142.6
[M+NH4]+ 222.07607 156.2
[M+K]+ 243.00541 146.1
[M+H-H2O]+ 187.03951 131.5
[M+HCOO]- 249.04045 156.7
[M+CH3COO]- 263.05610 150.9
[M+Na-2H]- 225.01692 145.1
[M]+ 204.04170 139.4
[M]- 204.04280 139.4
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