CID 353500

Nsc601985

Structural Information

Molecular Formula
C13H11NO4
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OCCN
InChI
InChI=1S/C13H11NO4/c14-4-6-17-13-11-9(3-5-16-11)7-8-1-2-10(15)18-12(8)13/h1-3,5,7H,4,6,14H2
InChIKey
WQDHRXMWGXFRJV-UHFFFAOYSA-N
Compound name
9-(2-aminoethoxy)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 148.7
[M+Na]+ 268.058018 160.3
[M-H]- 244.061524 156.3
[M+NH4]+ 263.102623 167.3
[M+K]+ 284.031958 159.0
[M+H-H2O]+ 228.066060 142.8
[M+HCOO]- 290.067001 173.3
[M+CH3COO]- 304.082651 163.4
[M+Na-2H]- 266.043466 158.2
[M]+ 245.06825142 155.6
[M]- 245.06934858 155.6
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.