CID 16792879

2-(4-amino-2-chlorophenoxy)-n,n-dimethylacetamide

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂

SMILES

CN(C)C(=O)COC1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C10H13ClN2O2/c1-13(2)10(14)6-15-9-4-3-7(12)5-8(9)11/h3-5H,6,12H2,1-2H3

InChIKey

QMIBJUDMZKMKNM-UHFFFAOYSA-N

Compound name

2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 228.06656 Da
Monoisotopic Mass: 1.4
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]+	229.073836	148.9
[M+Na]+	251.055778	157.0
[M-H]-	227.059284	153.8
[M+NH4]+	246.100383	168.0
[M+K]+	267.029718	154.7
[M+H-H2O]+	211.063820	143.3
[M+HCOO]-	273.064761	170.2
[M+CH3COO]-	287.080411	196.4
[M+Na-2H]-	249.041226	152.1
[M]+	228.06601142	152.2
[M]-	228.06710858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe