CID 139026846

2361636-08-8

Structural Information

Molecular Formula
C14H20FN3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)C2=NC=C(C=C2)F
InChI
InChI=1S/C14H20FN3O2/c1-13(2,3)20-12(19)18-8-14(7-16,9-18)11-5-4-10(15)6-17-11/h4-6H,7-9,16H2,1-3H3
InChIKey
VFDXDSPREJONFY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-(5-fluoropyridin-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.15396 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16124 169.8
[M+Na]+ 304.14318 174.7
[M+NH4]+ 299.18778 172.3
[M+K]+ 320.11712 170.4
[M-H]- 280.14668 166.6
[M+Na-2H]- 302.12863 172.6
[M]+ 281.15341 168.3
[M]- 281.15451 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.