CID 3017938

69447-76-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

COC1=C(C=C(C=C1)N)CCC(=O)O

InChI

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

InChIKey

HIEOAHAMBZIBGC-UHFFFAOYSA-N

Compound name

3-(5-amino-2-methoxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
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]+	196.096816	141.4
[M+Na]+	218.078758	148.8
[M-H]-	194.082264	143.6
[M+NH4]+	213.123363	159.8
[M+K]+	234.052698	146.9
[M+H-H2O]+	178.086800	135.5
[M+HCOO]-	240.087741	164.4
[M+CH3COO]-	254.103391	184.5
[M+Na-2H]-	216.064206	145.1
[M]+	195.08899142	141.8
[M]-	195.09008858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe