CID 3025528

103852-82-0

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

C1=CC(=CC=C1N)OCCCCC(=O)O

InChI

InChI=1S/C11H15NO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2,(H,13,14)

InChIKey

GYMYJYBISLNDGR-UHFFFAOYSA-N

Compound name

5-(4-aminophenoxy)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 209.1052 Da
Monoisotopic Mass: 1.4
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]+	210.112476	146.3
[M+Na]+	232.094418	152.3
[M-H]-	208.097924	147.9
[M+NH4]+	227.139023	163.8
[M+K]+	248.068358	150.1
[M+H-H2O]+	192.102460	139.9
[M+HCOO]-	254.103401	169.0
[M+CH3COO]-	268.119051	186.3
[M+Na-2H]-	230.079866	150.2
[M]+	209.10465142	146.6
[M]-	209.10574858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe