CID 72821

4-(aminomethyl)-9-methoxy-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C13H11NO4
SMILES
COC1=C2C(=C(C3=C1OC=C3)CN)C=CC(=O)O2
InChI
InChI=1S/C13H11NO4/c1-16-13-11-8(4-5-17-11)9(6-14)7-2-3-10(15)18-12(7)13/h2-5H,6,14H2,1H3
InChIKey
LIFOOMNHGFBULI-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-9-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

245.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 149.3
[M+Na]+ 268.058018 161.8
[M-H]- 244.061524 157.3
[M+NH4]+ 263.102623 168.3
[M+K]+ 284.031958 160.6
[M+H-H2O]+ 228.066060 143.7
[M+HCOO]- 290.067001 173.8
[M+CH3COO]- 304.082651 164.3
[M+Na-2H]- 266.043466 158.1
[M]+ 245.06825142 156.6
[M]- 245.06934858 156.6
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

patents stripe