CID 119094165

90869-87-7

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₃

SMILES

CCOC(=O)COC1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C10H12ClNO3/c1-2-14-10(13)6-15-7-3-4-8(11)9(12)5-7/h3-5H,2,6,12H2,1H3

InChIKey

MEPPFJHCYRALLG-UHFFFAOYSA-N

Compound name

ethyl 2-(3-amino-4-chlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.05057 Da
Monoisotopic Mass: 1.9
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]+	230.05785	146.9
[M+Na]+	252.03979	155.6
[M-H]-	228.04329	150.4
[M+NH4]+	247.08439	165.7
[M+K]+	268.01373	152.6
[M+H-H2O]+	212.04783	141.7
[M+HCOO]-	274.04877	166.9
[M+CH3COO]-	288.06442	190.1
[M+Na-2H]-	250.02524	150.7
[M]+	229.05002	151.2
[M]-	229.05112	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe