CID 519427

3193-62-2

Structural Information

Molecular Formula

C₁₅H₁₇N

SMILES

CC(C1=CC=CC=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3

InChIKey

ZYZHMSJNPCYUTB-UHFFFAOYSA-N

Compound name

N-benzyl-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 3517
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	153.5
[M-H]-	210.128824	154.5
[M+NH4]+	229.169923	166.4
[M+K]+	250.099258	149.7
[M+H-H2O]+	194.133360	140.8
[M+HCOO]-	256.134301	172.5
[M+CH3COO]-	270.149951	190.8
[M+Na-2H]-	232.110766	155.2
[M]+	211.13555142	146.5
[M]-	211.13664858	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe