CID 105472576

Tert-butyl 3-(2-amino-1-fluoroethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉FN₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(CN)F

InChI

InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-7(6-13)8(11)4-12/h7-8H,4-6,12H2,1-3H3

InChIKey

FWUFPXRFMIHHAV-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-amino-1-fluoroethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.14305 Da
Monoisotopic Mass: 0.6
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	155.5
[M+Na]+	241.132268	159.3
[M-H]-	217.135774	155.4
[M+NH4]+	236.176873	165.7
[M+K]+	257.106208	162.0
[M+H-H2O]+	201.140310	142.9
[M+HCOO]-	263.141251	171.2
[M+CH3COO]-	277.156901	194.0
[M+Na-2H]-	239.117716	155.7
[M]+	218.14250142	161.7
[M]-	218.14359858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.