(+)-n-benzyl-(3r,4r)-bis(diphenylphosphino)pyrrolidine (C35H33NP2)

Structural Information

Molecular Formula

SMILES

C1C(C(CN1CC2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H33NP2/c1-6-16-29(17-7-1)26-36-27-34(37(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(28-36)38(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35H,26-28H2

InChIKey

GYKMEKRMASHMIH-UHFFFAOYSA-N

Compound name

(1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl)-diphenylphosphane

Related CIDs

2D Structure

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]+	530.216076	231.9
[M+Na]+	552.198018	229.8
[M-H]-	528.201524	242.9
[M+NH4]+	547.242623	234.8
[M+K]+	568.171958	221.7
[M+H-H2O]+	512.206060	212.2
[M+HCOO]-	574.207001	255.7
[M+CH3COO]-	588.222651	235.4
[M+Na-2H]-	550.183466	219.2
[M]+	529.20825142	223.9
[M]-	529.20934858	223.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

530.216076

231.9

[M+Na]+

552.198018

229.8

[M-H]-

528.201524

242.9

[M+NH4]+

547.242623

234.8

[M+K]+

568.171958

221.7

[M+H-H2O]+

512.206060

212.2

[M+HCOO]-

574.207001

255.7

[M+CH3COO]-

588.222651

235.4

[M+Na-2H]-

550.183466

219.2

[M]+

529.20825142

223.9

[M]-

529.20934858

223.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(+)-n-benzyl-(3r,4r)-bis(diphenylphosphino)pyrrolidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe