CID 413338

Ethyl 2-amino-3-(4-methoxyphenyl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC)N

InChI

InChI=1S/C12H17NO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3

InChIKey

GRDSNVUGGUKPKE-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-(4-methoxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 223.12085 Da
Monoisotopic Mass: 0.8
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	151.3
[M+Na]+	246.110068	157.1
[M-H]-	222.113574	154.2
[M+NH4]+	241.154673	169.0
[M+K]+	262.084008	156.1
[M+H-H2O]+	206.118110	144.6
[M+HCOO]-	268.119051	174.1
[M+CH3COO]-	282.134701	192.0
[M+Na-2H]-	244.095516	153.8
[M]+	223.12030142	153.1
[M]-	223.12139858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe