CID 191086

30275-30-0

Structural Information

Molecular Formula

C₁₅H₁₇N

SMILES

CC1=CC=C(C=C1)CC(C2=CC=CC=C2)N

InChI

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

InChIKey

ZICDZTXDTPZBKH-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 496
Patents: 211.1361 Da
Monoisotopic Mass: 3.1
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	149.0
[M+Na]+	234.12532	155.0
[M-H]-	210.12882	155.0
[M+NH4]+	229.16992	167.0
[M+K]+	250.09926	150.9
[M+H-H2O]+	194.13336	141.6
[M+HCOO]-	256.13430	172.5
[M+CH3COO]-	270.14995	191.2
[M+Na-2H]-	232.11077	153.9
[M]+	211.13555	146.5
[M]-	211.13665	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe