CID 20381588

2089255-75-2

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

C1=CC(=CC(=C1)OCCN)CC(=O)O

InChI

InChI=1S/C10H13NO3/c11-4-5-14-9-3-1-2-8(6-9)7-10(12)13/h1-3,6H,4-5,7,11H2,(H,12,13)

InChIKey

NPHPWOOUTYXHNJ-UHFFFAOYSA-N

Compound name

2-[3-(2-aminoethoxy)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 195.08954 Da
Monoisotopic Mass: -1.7
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	141.7
[M+Na]+	218.078758	148.2
[M-H]-	194.082264	143.5
[M+NH4]+	213.123363	159.8
[M+K]+	234.052698	146.2
[M+H-H2O]+	178.086800	135.5
[M+HCOO]-	240.087741	164.7
[M+CH3COO]-	254.103391	183.2
[M+Na-2H]-	216.064206	146.1
[M]+	195.08899142	141.7
[M]-	195.09008858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe