CID 138991175

2167677-73-6

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)(C2=CC=CC=N2)N

InChI

InChI=1S/C13H19N3O2/c1-12(2,3)18-11(17)16-8-13(14,9-16)10-6-4-5-7-15-10/h4-7H,8-9,14H2,1-3H3

InChIKey

KUYBSRCEBUTZKY-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-pyridin-2-ylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 249.14772 Da
Monoisotopic Mass: 0.3
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]+	250.154996	162.5
[M+Na]+	272.136938	167.7
[M-H]-	248.140444	165.8
[M+NH4]+	267.181543	172.0
[M+K]+	288.110878	169.1
[M+H-H2O]+	232.144980	149.7
[M+HCOO]-	294.145921	179.6
[M+CH3COO]-	308.161571	197.2
[M+Na-2H]-	270.122386	167.0
[M]+	249.14717142	170.1
[M]-	249.14826858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe