CID 115267097

Tert-butyl 2-(aminomethyl)-2-(trifluoromethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₉F₃N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC1(CN)C(F)(F)F

InChI

InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-6-4-5-10(16,7-15)11(12,13)14/h4-7,15H2,1-3H3

InChIKey

VMUITAFSDWVMHR-UHFFFAOYSA-N

Compound name

tert-butyl 2-(aminomethyl)-2-(trifluoromethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.13986 Da
Monoisotopic Mass: 1.7
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]+	269.147136	158.4
[M+Na]+	291.129078	164.9
[M-H]-	267.132584	156.1
[M+NH4]+	286.173683	177.0
[M+K]+	307.103018	163.7
[M+H-H2O]+	251.137120	151.4
[M+HCOO]-	313.138061	172.6
[M+CH3COO]-	327.153711	196.0
[M+Na-2H]-	289.114526	160.5
[M]+	268.13931142	152.9
[M]-	268.14040858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.