CID 13446

Desylamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

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

InChI

InChI=1S/C14H13NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H,15H2

InChIKey

LKPGGRAYFGWREN-UHFFFAOYSA-N

Compound name

2-amino-1,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 137
Patents: 211.09972 Da
Monoisotopic Mass: 1.9
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]+	212.10700	147.2
[M+Na]+	234.08894	152.7
[M-H]-	210.09244	153.1
[M+NH4]+	229.13354	164.7
[M+K]+	250.06288	149.2
[M+H-H2O]+	194.09698	139.8
[M+HCOO]-	256.09792	170.5
[M+CH3COO]-	270.11357	189.2
[M+Na-2H]-	232.07439	152.2
[M]+	211.09917	144.1
[M]-	211.10027	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe