CID 67043

N-ethyl-1-naphthylamine

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

CCNC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C12H13N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3

InChIKey

KDFFXYVOTKKBDI-UHFFFAOYSA-N

Compound name

N-ethylnaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2918
Patents: 171.1048 Da
Monoisotopic Mass: 3.2
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]+	172.11208	134.7
[M+Na]+	194.09402	142.4
[M-H]-	170.09752	139.3
[M+NH4]+	189.13862	156.1
[M+K]+	210.06796	138.9
[M+H-H2O]+	154.10206	128.6
[M+HCOO]-	216.10300	159.3
[M+CH3COO]-	230.11865	183.8
[M+Na-2H]-	192.07947	144.4
[M]+	171.10425	134.1
[M]-	171.10535	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe