CID 9837138

174775-48-5

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N

InChI

InChI=1S/C11H11NO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3

InChIKey

YFFLLDHEEWSHQG-UHFFFAOYSA-N

Compound name

ethyl 5-amino-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 205.0739 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe