CID 65055

3647-71-0

Structural Information

Molecular Formula

C₁₅H₁₇N

SMILES

C1=CC=C(C=C1)CCNCC2=CC=CC=C2

InChI

InChI=1S/C15H17N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2

InChIKey

UPABQMWFWCMOFV-UHFFFAOYSA-N

Compound name

N-benzyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 36385
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]+	212.14338	150.0
[M+Na]+	234.12532	164.6
[M+NH4]+	229.16992	160.1
[M+K]+	250.09926	154.9
[M-H]-	210.12882	156.4
[M+Na-2H]-	232.11077	161.3
[M]+	211.13555	154.1
[M]-	211.13665	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe