CID 53234144

863971-66-8

Structural Information

Molecular Formula

C₁₉H₃₅N₂P

SMILES

CCN(CC)CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C19H35N2P/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8/h11-13H,9-10,14-15H2,1-8H3

InChIKey

MTBWGMDPQBSPGF-UHFFFAOYSA-N

Compound name

N-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 322.25378 Da
Monoisotopic Mass: 3.0
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]+	323.26106	186.1
[M+Na]+	345.24300	195.3
[M+NH4]+	340.28760	192.5
[M+K]+	361.21694	189.6
[M-H]-	321.24650	187.1
[M+Na-2H]-	343.22845	190.1
[M]+	322.25323	187.7
[M]-	322.25433	187.7

Literature stripe

literature stripe

Patent stripe

patents stripe