CID 15634238

Methyl 3-(4-aminophenoxy)propanoate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

COC(=O)CCOC1=CC=C(C=C1)N

InChI

InChI=1S/C10H13NO3/c1-13-10(12)6-7-14-9-4-2-8(11)3-5-9/h2-5H,6-7,11H2,1H3

InChIKey

BUXRTYMRNUWARN-UHFFFAOYSA-N

Compound name

methyl 3-(4-aminophenoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 195.08954 Da
Monoisotopic Mass: 1.0
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]+	196.09682	141.8
[M+Na]+	218.07876	152.7
[M+NH4]+	213.12336	149.1
[M+K]+	234.05270	147.5
[M-H]-	194.08226	143.3
[M+Na-2H]-	216.06421	147.4
[M]+	195.08899	143.5
[M]-	195.09009	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe