CID 8640

1-naphthylamine

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

C1=CC=C2C(=C1)C=CC=C2N

InChI

InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2

InChIKey

RUFPHBVGCFYCNW-UHFFFAOYSA-N

Compound name

naphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1246
References: 76111
Patents: 143.0735 Da
Monoisotopic Mass: 2.2
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]+	144.08078	125.9
[M+Na]+	166.06272	134.6
[M-H]-	142.06622	130.4
[M+NH4]+	161.10732	148.2
[M+K]+	182.03666	131.2
[M+H-H2O]+	126.07076	120.3
[M+HCOO]-	188.07170	150.6
[M+CH3COO]-	202.08735	140.4
[M+Na-2H]-	164.04817	135.7
[M]+	143.07295	123.7
[M]-	143.07405	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe