CID 89754

22564-43-8

Structural Information

Molecular Formula

C₁₁H₁₆ClN

SMILES

CCN(CCCl)C1=CC=CC(=C1)C

InChI

InChI=1S/C11H16ClN/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3

InChIKey

DLRPOOIAFCOLII-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-ethyl-3-methylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 118
Patents: 197.09712 Da
Monoisotopic Mass: 3.8
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]+	198.10440	142.8
[M+Na]+	220.08634	156.6
[M+NH4]+	215.13094	152.8
[M+K]+	236.06028	148.2
[M-H]-	196.08984	146.9
[M+Na-2H]-	218.07179	151.0
[M]+	197.09657	146.3
[M]-	197.09767	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe