CID 121033

Np 250

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O₂

SMILES

CN(C)CCNC(=O)COC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H17ClN2O2/c1-15(2)8-7-14-12(16)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3,(H,14,16)

InChIKey

VFEUKRULGBAHHV-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.09787 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]+	257.105146	158.1
[M+Na]+	279.087088	164.3
[M-H]-	255.090594	162.7
[M+NH4]+	274.131693	176.0
[M+K]+	295.061028	161.9
[M+H-H2O]+	239.095130	151.7
[M+HCOO]-	301.096071	179.3
[M+CH3COO]-	315.111721	201.9
[M+Na-2H]-	277.072536	162.0
[M]+	256.09732142	162.7
[M]-	256.09841858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe