CID 11118784

Ethyl 2-[4-(2-aminoethyl)phenoxy]acetate hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

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

InChI

InChI=1S/C12H17NO3/c1-2-15-12(14)9-16-11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3

InChIKey

MEEXXWXSOPKRTC-UHFFFAOYSA-N

Compound name

ethyl 2-[4-(2-aminoethyl)phenoxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 223.12085 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]+	224.128126	150.8
[M+Na]+	246.110068	156.9
[M-H]-	222.113574	153.6
[M+NH4]+	241.154673	168.6
[M+K]+	262.084008	155.3
[M+H-H2O]+	206.118110	144.0
[M+HCOO]-	268.119051	174.6
[M+CH3COO]-	282.134701	191.1
[M+Na-2H]-	244.095516	154.6
[M]+	223.12030142	153.3
[M]-	223.12139858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe