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]+ 234.07608 145.9
[M+Na]+ 256.05802 156.8
[M-H]- 232.06152 153.3
[M+NH4]+ 251.10262 165.2
[M+K]+ 272.03196 156.1
[M+H-H2O]+ 216.06606 140.6
[M+HCOO]- 278.06700 168.0
[M+CH3COO]- 292.08265 160.4
[M+Na-2H]- 254.04347 153.5
[M]+ 233.06825 150.1
[M]- 233.06935 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

No patent data available for this compound.