CID 2063537

Ethyl 3-aminobenzofuran-2-carboxylate

Structural Information

Molecular Formula
C11H11NO3
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2O1)N
InChI
InChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3
InChIKey
PWOARNMOPCOJEV-UHFFFAOYSA-N
Compound name
ethyl 3-amino-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

127
Patents

205.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 141.7
[M+Na]+ 228.06312 151.6
[M-H]- 204.06662 147.4
[M+NH4]+ 223.10772 162.2
[M+K]+ 244.03706 150.4
[M+H-H2O]+ 188.07116 136.1
[M+HCOO]- 250.07210 167.0
[M+CH3COO]- 264.08775 186.5
[M+Na-2H]- 226.04857 148.1
[M]+ 205.07335 145.9
[M]- 205.07445 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe