CID 136914

1135-12-2

Structural Information

Molecular Formula

C₁₃H₁₃N

SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)N

InChI

InChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2

InChIKey

WDTRNCFZFQIWLM-UHFFFAOYSA-N

Compound name

4-benzylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2193
Patents: 183.1048 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]+	184.11208	139.1
[M+Na]+	206.09402	146.4
[M-H]-	182.09752	145.5
[M+NH4]+	201.13862	158.4
[M+K]+	222.06796	142.2
[M+H-H2O]+	166.10206	132.2
[M+HCOO]-	228.10300	164.3
[M+CH3COO]-	242.11865	152.5
[M+Na-2H]-	204.07947	146.5
[M]+	183.10425	136.6
[M]-	183.10535	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe