CID 177799402

Tert-butyl n-[3-(3-aminoazetidin-1-yl)-3-oxopropyl]carbamate

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₃

SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CC(C1)N

InChI

InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)13-5-4-9(15)14-6-8(12)7-14/h8H,4-7,12H2,1-3H3,(H,13,16)

InChIKey

WJTDICLWMKYQOL-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(3-aminoazetidin-1-yl)-3-oxopropyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.1583 Da
Monoisotopic Mass: -0.7
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]+	244.165576	163.9
[M+Na]+	266.147518	166.2
[M-H]-	242.151024	164.8
[M+NH4]+	261.192123	172.5
[M+K]+	282.121458	169.3
[M+H-H2O]+	226.155560	150.9
[M+HCOO]-	288.156501	181.5
[M+CH3COO]-	302.172151	199.9
[M+Na-2H]-	264.132966	164.3
[M]+	243.15775142	171.3
[M]-	243.15884858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.