CID 170910796

Tert-butyl 3-(3-aminoazetidine-1-carbonyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₁N₃O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(=O)N2CC(C2)N

InChI

InChI=1S/C12H21N3O3/c1-12(2,3)18-11(17)15-4-8(5-15)10(16)14-6-9(13)7-14/h8-9H,4-7,13H2,1-3H3

InChIKey

SMFVDOWJJNINCO-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-aminoazetidine-1-carbonyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.1583 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]+	256.165576	162.7
[M+Na]+	278.147518	164.1
[M-H]-	254.151024	165.0
[M+NH4]+	273.192123	163.3
[M+K]+	294.121458	169.8
[M+H-H2O]+	238.155560	144.9
[M+HCOO]-	300.156501	175.0
[M+CH3COO]-	314.172151	207.6
[M+Na-2H]-	276.132966	161.3
[M]+	255.15775142	176.9
[M]-	255.15884858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.