CID 412616

Ethyl 2-(4-aminophenoxy)acetate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CCOC(=O)COC1=CC=C(C=C1)N

InChI

InChI=1S/C10H13NO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7,11H2,1H3

InChIKey

IBGBOGKPIMZRRU-UHFFFAOYSA-N

Compound name

ethyl 2-(4-aminophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 301
Patents: 195.08954 Da
Monoisotopic Mass: 1.5
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]+	196.096816	141.5
[M+Na]+	218.078758	148.5
[M-H]-	194.082264	144.7
[M+NH4]+	213.123363	160.4
[M+K]+	234.052698	147.4
[M+H-H2O]+	178.086800	135.1
[M+HCOO]-	240.087741	166.0
[M+CH3COO]-	254.103391	185.1
[M+Na-2H]-	216.064206	146.4
[M]+	195.08899142	143.3
[M]-	195.09008858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe