CID 1519405

3-aminoazetidine, 3-boc protected

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CNC1

InChI

InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)

InChIKey

NEMXVXVJGXZDRR-UHFFFAOYSA-N

Compound name

tert-butyl N-(azetidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2956
Patents: 172.12119 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]+	173.12847	142.3
[M+Na]+	195.11041	145.9
[M-H]-	171.11391	142.7
[M+NH4]+	190.15501	153.8
[M+K]+	211.08435	148.5
[M+H-H2O]+	155.11845	130.9
[M+HCOO]-	217.11939	159.9
[M+CH3COO]-	231.13504	181.6
[M+Na-2H]-	193.09586	146.7
[M]+	172.12064	148.5
[M]-	172.12174	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe