CID 31968

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

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CN(CCCl)CC1=CC=CC=C1

InChI

InChI=1S/C10H14ClN/c1-12(8-7-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3

InChIKey

JNTMWPCEVGHVML-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 348
Patents: 183.08148 Da
Monoisotopic Mass: 2.6
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]+	184.088756	139.3
[M+Na]+	206.070698	146.4
[M-H]-	182.074204	143.8
[M+NH4]+	201.115303	160.4
[M+K]+	222.044638	143.5
[M+H-H2O]+	166.078740	133.7
[M+HCOO]-	228.079681	160.5
[M+CH3COO]-	242.095331	186.6
[M+Na-2H]-	204.056146	146.0
[M]+	183.08093142	142.1
[M]-	183.08202858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe