CID 12949918

2936-63-2

Structural Information

Molecular Formula

C₁₇H₁₅N

SMILES

C1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N

InChI

InChI=1S/C17H15N/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,18H2

InChIKey

MKYLPACDIKGXSW-UHFFFAOYSA-N

Compound name

naphthalen-1-yl(phenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 233.12045 Da
Monoisotopic Mass: 4.0
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]+	234.127726	152.4
[M+Na]+	256.109668	159.0
[M-H]-	232.113174	159.2
[M+NH4]+	251.154273	170.3
[M+K]+	272.083608	153.6
[M+H-H2O]+	216.117710	144.7
[M+HCOO]-	278.118651	175.0
[M+CH3COO]-	292.134301	164.5
[M+Na-2H]-	254.095116	159.6
[M]+	233.11990142	149.3
[M]-	233.12099858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe