CID 20184

4210-73-5

Structural Information

Molecular Formula

C₁₄H₂₀ClNO₃

SMILES

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

InChI

InChI=1S/C14H20ClNO3/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3

InChIKey

PUGZUYUBEFEQKB-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-(4-chlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 285.11316 Da
Monoisotopic Mass: 3.2
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]+	286.12044	165.4
[M+Na]+	308.10238	171.6
[M-H]-	284.10588	169.8
[M+NH4]+	303.14698	182.5
[M+K]+	324.07632	169.3
[M+H-H2O]+	268.11042	158.9
[M+HCOO]-	330.11136	185.2
[M+CH3COO]-	344.12701	204.9
[M+Na-2H]-	306.08783	168.1
[M]+	285.11261	173.0
[M]-	285.11371	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe