CID 302656

2573-31-1

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CCOC(=O)CNC1=CC(=CC=C1)Cl

InChI

InChI=1S/C10H12ClNO2/c1-2-14-10(13)7-12-9-5-3-4-8(11)6-9/h3-6,12H,2,7H2,1H3

InChIKey

CDSGZTSPLQPIQD-UHFFFAOYSA-N

Compound name

ethyl 2-(3-chloroanilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 213.05565 Da
Monoisotopic Mass: 2.8
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]+	214.06293	143.9
[M+Na]+	236.04487	156.4
[M+NH4]+	231.08947	152.2
[M+K]+	252.01881	149.5
[M-H]-	212.04837	146.1
[M+Na-2H]-	234.03032	150.6
[M]+	213.05510	146.4
[M]-	213.05620	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe