CID 61033851

[4-(naphthalen-2-yl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₅N

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C=C3)CN

InChI

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

InChIKey

CPPRSDFSYWXBID-UHFFFAOYSA-N

Compound name

(4-naphthalen-2-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 233.12045 Da
Monoisotopic Mass: 3.6
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	152.2
[M+Na]+	256.109668	160.1
[M-H]-	232.113174	159.4
[M+NH4]+	251.154273	170.5
[M+K]+	272.083608	154.3
[M+H-H2O]+	216.117710	144.5
[M+HCOO]-	278.118651	175.8
[M+CH3COO]-	292.134301	164.8
[M+Na-2H]-	254.095116	159.9
[M]+	233.11990142	150.2
[M]-	233.12099858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe