CID 137951956

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

Structural Information

Molecular Formula

C₁₀H₁₇FN₂O₂

SMILES

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

InChI

InChI=1S/C10H17FN2O2/c1-10(2,3)15-9(14)13-5-7(6-13)8(11)4-12/h4-6,12H2,1-3H3

InChIKey

GEGSYXAYKDRQRW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.12741 Da
Monoisotopic Mass: -0.4
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]+	217.134686	154.5
[M+Na]+	239.116628	158.7
[M-H]-	215.120134	154.5
[M+NH4]+	234.161233	164.8
[M+K]+	255.090568	160.8
[M+H-H2O]+	199.124670	142.0
[M+HCOO]-	261.125611	170.4
[M+CH3COO]-	275.141261	192.5
[M+Na-2H]-	237.102076	154.7
[M]+	216.12686142	160.0
[M]-	216.12795858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.