CID 26482

1,2-diphenylethylamine

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

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

InChI

InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2

InChIKey

DTGGNTMERRTPLR-UHFFFAOYSA-N

Compound name

1,2-diphenylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1135
Patents: 197.12045 Da
Monoisotopic Mass: 2.8
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]+	198.127726	144.4
[M+Na]+	220.109668	149.9
[M-H]-	196.113174	150.2
[M+NH4]+	215.154273	162.6
[M+K]+	236.083608	146.0
[M+H-H2O]+	180.117710	137.1
[M+HCOO]-	242.118651	168.2
[M+CH3COO]-	256.134301	187.1
[M+Na-2H]-	218.095116	150.7
[M]+	197.11990142	141.1
[M]-	197.12099858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe