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: 18
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	139.2
[M+Na]+	216.06312	147.5
[M-H]-	192.06662	144.3
[M+NH4]+	211.10772	159.9
[M+K]+	232.03706	146.8
[M+H-H2O]+	176.07116	133.9
[M+HCOO]-	238.07210	161.9
[M+CH3COO]-	252.08775	184.1
[M+Na-2H]-	214.04857	144.3
[M]+	193.07335	140.1
[M]-	193.07445	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe