CID 18449144

631862-75-4

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂O

SMILES

CN(C)CCOC1=C(C=C(C=C1)Cl)N

InChI

InChI=1S/C10H15ClN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3

InChIKey

OQTYBJCISJYPPM-UHFFFAOYSA-N

Compound name

5-chloro-2-[2-(dimethylamino)ethoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 214.0873 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]+	215.094576	146.9
[M+Na]+	237.076518	155.0
[M-H]-	213.080024	151.6
[M+NH4]+	232.121123	166.8
[M+K]+	253.050458	152.3
[M+H-H2O]+	197.084560	141.3
[M+HCOO]-	259.085501	168.8
[M+CH3COO]-	273.101151	195.0
[M+Na-2H]-	235.061966	151.3
[M]+	214.08675142	150.2
[M]-	214.08784858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe