CID 344401

1930-59-2

Structural Information

Molecular Formula
C12H11NO4
SMILES
COC1=C2C(=C(C3=C1OCC3)N)C=CC(=O)O2
InChI
InChI=1S/C12H11NO4/c1-15-12-10-7(4-5-16-10)9(13)6-2-3-8(14)17-11(6)12/h2-3H,4-5,13H2,1H3
InChIKey
VRGVKEKDHFWMES-UHFFFAOYSA-N
Compound name
4-amino-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.0688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 145.9
[M+Na]+ 256.058018 156.8
[M-H]- 232.061524 153.3
[M+NH4]+ 251.102623 165.2
[M+K]+ 272.031958 156.1
[M+H-H2O]+ 216.066060 140.6
[M+HCOO]- 278.067001 168.0
[M+CH3COO]- 292.082651 160.4
[M+Na-2H]- 254.043466 153.5
[M]+ 233.06825142 150.1
[M]- 233.06934858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe