CID 57514668

913196-43-7

Structural Information

Molecular Formula

C₂₀H₂₀NP

SMILES

C[C@@H](C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C20H20NP/c1-16(21)19-14-8-9-15-20(19)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H,21H2,1H3/t16-/m0/s1

InChIKey

KPFJIPHGQGHIMM-INIZCTEOSA-N

Compound name

(1S)-1-(2-diphenylphosphanylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 305.13333 Da
Monoisotopic Mass: 3.9
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]+	306.14061	176.4
[M+Na]+	328.12255	180.3
[M-H]-	304.12605	183.6
[M+NH4]+	323.16715	190.1
[M+K]+	344.09649	174.9
[M+H-H2O]+	288.13059	164.8
[M+HCOO]-	350.13153	203.1
[M+CH3COO]-	364.14718	209.9
[M+Na-2H]-	326.10800	175.2
[M]+	305.13278	173.1
[M]-	305.13388	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe