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]+ 246.07608 149.3
[M+Na]+ 268.05802 161.8
[M-H]- 244.06152 157.3
[M+NH4]+ 263.10262 168.3
[M+K]+ 284.03196 160.6
[M+H-H2O]+ 228.06606 143.7
[M+HCOO]- 290.06700 173.8
[M+CH3COO]- 304.08265 164.3
[M+Na-2H]- 266.04347 158.1
[M]+ 245.06825 156.6
[M]- 245.06935 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