CID 53417413

708274-54-8

Structural Information

Molecular Formula

C₁₀H₁₉FN₂O₂

SMILES

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

InChI

InChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-7,12H2,1-3H3

InChIKey

VCUPYPHVRNFASM-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 218.14305 Da
Monoisotopic Mass: 0.5
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]+	219.150326	149.4
[M+Na]+	241.132268	155.8
[M-H]-	217.135774	149.7
[M+NH4]+	236.176873	170.1
[M+K]+	257.106208	155.1
[M+H-H2O]+	201.140310	143.7
[M+HCOO]-	263.141251	167.6
[M+CH3COO]-	277.156901	187.7
[M+Na-2H]-	239.117716	152.0
[M]+	218.14250142	146.6
[M]-	218.14359858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe