CID 57365069

908334-28-1

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11/h4-7,12H,8-10,16H2,1-3H3

InChIKey

QUBNPUPUCMVUFI-UHFFFAOYSA-N

Compound name

tert-butyl 3-(4-aminophenyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 262.16812 Da
Monoisotopic Mass: 2.3
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]+	263.175396	163.6
[M+Na]+	285.157338	169.2
[M-H]-	261.160844	168.4
[M+NH4]+	280.201943	180.4
[M+K]+	301.131278	166.7
[M+H-H2O]+	245.165380	156.4
[M+HCOO]-	307.166321	182.8
[M+CH3COO]-	321.181971	197.3
[M+Na-2H]-	283.142786	164.4
[M]+	262.16757142	161.4
[M]-	262.16866858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe