CID 31966

Benzylamine, n-(2-chloroethyl)-n-ethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₆ClN

SMILES

CCN(CCCl)CC1=CC=CC=C1

InChI

InChI=1S/C11H16ClN/c1-2-13(9-8-12)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3

InChIKey

PEDYEFUCMXSQJM-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 81
Patents: 197.09712 Da
Monoisotopic Mass: 2.7
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]+	198.104396	144.0
[M+Na]+	220.086338	150.7
[M-H]-	196.089844	148.3
[M+NH4]+	215.130943	164.6
[M+K]+	236.060278	147.5
[M+H-H2O]+	180.094380	138.2
[M+HCOO]-	242.095321	164.9
[M+CH3COO]-	256.110971	189.6
[M+Na-2H]-	218.071786	150.2
[M]+	197.09657142	147.2
[M]-	197.09766858	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe