CID 59432335

872625-35-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC(=O)C1=C(C=C2COCC2=C1)N

InChI

InChI=1S/C10H11NO3/c1-13-10(12)8-2-6-4-14-5-7(6)3-9(8)11/h2-3H,4-5,11H2,1H3

InChIKey

DERQQAYCYWUIMN-UHFFFAOYSA-N

Compound name

methyl 6-amino-1,3-dihydro-2-benzofuran-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 193.0739 Da
Monoisotopic Mass: 0.9
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]+	194.08118	139.5
[M+Na]+	216.06312	150.1
[M+NH4]+	211.10772	147.6
[M+K]+	232.03706	147.4
[M-H]-	192.06662	142.4
[M+Na-2H]-	214.04857	143.1
[M]+	193.07335	141.5
[M]-	193.07445	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe