CID 75355832

1-(4-chloronaphthalen-1-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₂ClN

SMILES

CC(C1=CC=C(C2=CC=CC=C21)Cl)N

InChI

InChI=1S/C12H12ClN/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-8H,14H2,1H3

InChIKey

XQOJNXMFDXTZML-UHFFFAOYSA-N

Compound name

1-(4-chloronaphthalen-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.06583 Da
Monoisotopic Mass: 3.1
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]+	206.073106	142.8
[M+Na]+	228.055048	152.0
[M-H]-	204.058554	147.1
[M+NH4]+	223.099653	163.7
[M+K]+	244.028988	146.8
[M+H-H2O]+	188.063090	137.8
[M+HCOO]-	250.064031	161.2
[M+CH3COO]-	264.079681	188.9
[M+Na-2H]-	226.040496	148.9
[M]+	205.06528142	143.2
[M]-	205.06637858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe