CID 21439915

Ns00064727

Structural Information

Molecular Formula

C₁₅H₁₇N

SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2CCN

InChI

InChI=1S/C15H17N/c16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13/h1-9H,10-12,16H2

InChIKey

QWSUTGZKTVZPRT-UHFFFAOYSA-N

Compound name

2-(2-benzylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 211.1361 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]+	212.143376	148.4
[M+Na]+	234.125318	154.7
[M-H]-	210.128824	154.3
[M+NH4]+	229.169923	166.5
[M+K]+	250.099258	150.1
[M+H-H2O]+	194.133360	140.9
[M+HCOO]-	256.134301	172.9
[M+CH3COO]-	270.149951	190.4
[M+Na-2H]-	232.110766	154.6
[M]+	211.13555142	146.5
[M]-	211.13664858	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe