CID 84080288

Tert-butyl 3-(3-aminobutyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(CCC1CN(C1)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C12H24N2O2/c1-9(13)5-6-10-7-14(8-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3

InChIKey

PYSNTJCDZYIDGG-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-aminobutyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.18378 Da
Monoisotopic Mass: 1.3
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]+	229.191056	161.7
[M+Na]+	251.172998	164.7
[M-H]-	227.176504	162.8
[M+NH4]+	246.217603	171.7
[M+K]+	267.146938	167.4
[M+H-H2O]+	211.181040	149.8
[M+HCOO]-	273.181981	177.9
[M+CH3COO]-	287.197631	197.3
[M+Na-2H]-	249.158446	161.5
[M]+	228.18323142	169.9
[M]-	228.18432858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.