CID 54272661

(4-chloronaphthalen-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₀ClN

SMILES

C1=CC=C2C(=C1)C(=CC=C2Cl)CN

InChI

InChI=1S/C11H10ClN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H,7,13H2

InChIKey

ZFKCNJOENKQRNH-UHFFFAOYSA-N

Compound name

(4-chloronaphthalen-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 191.05017 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]+	192.05745	137.0
[M+Na]+	214.03939	152.7
[M+NH4]+	209.08399	147.9
[M+K]+	230.01333	143.7
[M-H]-	190.04289	141.8
[M+Na-2H]-	212.02484	145.9
[M]+	191.04962	141.1
[M]-	191.05072	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe