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]+ 246.07608 148.7
[M+Na]+ 268.05802 160.3
[M-H]- 244.06152 156.3
[M+NH4]+ 263.10262 167.3
[M+K]+ 284.03196 159.0
[M+H-H2O]+ 228.06606 142.8
[M+HCOO]- 290.06700 173.3
[M+CH3COO]- 304.08265 163.4
[M+Na-2H]- 266.04347 158.2
[M]+ 245.06825 155.6
[M]- 245.06935 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.