CID 3025364

Pyrrolidine, 3-(diphenylmethoxy)-1-isobutyl-, hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₇NO

SMILES

CC(C)CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27NO/c1-17(2)15-22-14-13-20(16-22)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3

InChIKey

GJMMSONUDQKXCX-UHFFFAOYSA-N

Compound name

3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 309.20926 Da
Monoisotopic Mass: 4.8
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]+	310.216536	177.8
[M+Na]+	332.198478	180.6
[M-H]-	308.201984	184.8
[M+NH4]+	327.243083	191.9
[M+K]+	348.172418	176.4
[M+H-H2O]+	292.206520	168.1
[M+HCOO]-	354.207461	195.9
[M+CH3COO]-	368.223111	206.7
[M+Na-2H]-	330.183926	176.5
[M]+	309.20871142	175.5
[M]-	309.20980858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe