CID 234875

2-(benzylamino)-2-phenylethan-1-ol

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

C1=CC=C(C=C1)CNC(CO)C2=CC=CC=C2

InChI

InChI=1S/C15H17NO/c17-12-15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2

InChIKey

FTFBWZQHBTVPEO-UHFFFAOYSA-N

Compound name

2-(benzylamino)-2-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 227.13101 Da
Monoisotopic Mass: 2.1
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]+	228.13829	152.0
[M+Na]+	250.12023	156.5
[M-H]-	226.12373	156.6
[M+NH4]+	245.16483	168.4
[M+K]+	266.09417	152.4
[M+H-H2O]+	210.12827	144.4
[M+HCOO]-	272.12921	174.8
[M+CH3COO]-	286.14486	190.2
[M+Na-2H]-	248.10568	158.2
[M]+	227.13046	149.6
[M]-	227.13156	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe