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

Structural Information

Molecular Formula

SMILES

C1[C@H]([C@@H](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/t34-,35-/m1/s1

InChIKey

GYKMEKRMASHMIH-VSJLXWSYSA-N

Compound name

[(3R,4R)-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]+	530.21608	231.9
[M+Na]+	552.19802	229.8
[M-H]-	528.20152	242.9
[M+NH4]+	547.24262	234.8
[M+K]+	568.17196	221.7
[M+H-H2O]+	512.20606	212.2
[M+HCOO]-	574.20700	255.7
[M+CH3COO]-	588.22265	235.4
[M+Na-2H]-	550.18347	219.2
[M]+	529.20825	223.9
[M]-	529.20935	223.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

530.21608

231.9

[M+Na]+

552.19802

229.8

[M-H]-

528.20152

242.9

[M+NH4]+

547.24262

234.8

[M+K]+

568.17196

221.7

[M+H-H2O]+

512.20606

212.2

[M+HCOO]-

574.20700

255.7

[M+CH3COO]-

588.22265

235.4

[M+Na-2H]-

550.18347

219.2

[M]+

529.20825

223.9

[M]-

529.20935

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

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