CID 63686469

4-chloro-n-(2,2-dimethoxyethyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₂

SMILES

COC(CNC1=CC=C(C=C1)Cl)OC

InChI

InChI=1S/C10H14ClNO2/c1-13-10(14-2)7-12-9-5-3-8(11)4-6-9/h3-6,10,12H,7H2,1-2H3

InChIKey

VLBSVKRHSMYGPP-UHFFFAOYSA-N

Compound name

4-chloro-N-(2,2-dimethoxyethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.0713 Da
Monoisotopic Mass: 2.4
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]+	216.07858	145.1
[M+Na]+	238.06052	152.6
[M-H]-	214.06402	148.6
[M+NH4]+	233.10512	164.4
[M+K]+	254.03446	149.8
[M+H-H2O]+	198.06856	139.7
[M+HCOO]-	260.06950	165.3
[M+CH3COO]-	274.08515	189.0
[M+Na-2H]-	236.04597	150.6
[M]+	215.07075	149.3
[M]-	215.07185	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe