CID 57798310

869811-51-8

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-13(2,3)19-12(18)17-9-14(8-15,10-17)11-6-4-5-7-16-11/h4-7H,9-10H2,1-3H3

InChIKey

ZNOXLVUEDTYMGN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 259.13208 Da
Monoisotopic Mass: 1.1
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]+	260.139356	159.2
[M+Na]+	282.121298	166.4
[M-H]-	258.124804	161.9
[M+NH4]+	277.165903	167.7
[M+K]+	298.095238	167.7
[M+H-H2O]+	242.129340	140.8
[M+HCOO]-	304.130281	172.7
[M+CH3COO]-	318.145931	207.5
[M+Na-2H]-	280.106746	163.7
[M]+	259.13153142	162.7
[M]-	259.13262858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe