CID 77409

3779-03-1

Structural Information

Molecular Formula
C12H10O4
SMILES
COC1=C2C(=CC3=C1OCC3)C=CC(=O)O2
InChI
InChI=1S/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-3,6H,4-5H2,1H3
InChIKey
BUNGCZLFHHXKBX-UHFFFAOYSA-N
Compound name
9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

3372
Patents

218.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.065176 140.5
[M+Na]+ 241.047118 151.5
[M-H]- 217.050624 148.2
[M+NH4]+ 236.091723 160.8
[M+K]+ 257.021058 151.2
[M+H-H2O]+ 201.055160 135.5
[M+HCOO]- 263.056101 162.3
[M+CH3COO]- 277.071751 155.6
[M+Na-2H]- 239.032566 149.4
[M]+ 218.05735142 145.9
[M]- 218.05844858 145.9
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