CID 53484485

1026796-77-9

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₂

SMILES

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

InChI

InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-9(7-14)13-4-8(12)5-13/h8-9H,4-7,12H2,1-3H3

InChIKey

JMLRKNIOMIWIKZ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-aminoazetidin-1-yl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.16338 Da
Monoisotopic Mass: -0.1
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]+	228.170656	154.6
[M+Na]+	250.152598	156.9
[M-H]-	226.156104	157.2
[M+NH4]+	245.197203	156.6
[M+K]+	266.126538	162.2
[M+H-H2O]+	210.160640	137.4
[M+HCOO]-	272.161581	168.0
[M+CH3COO]-	286.177231	203.6
[M+Na-2H]-	248.138046	155.1
[M]+	227.16283142	168.7
[M]-	227.16392858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe