CID 19360775

178311-48-3

Structural Information

Molecular Formula

C₁₂H₂₃N₃O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)N2CCNCC2

InChI

InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-8-10(9-15)14-6-4-13-5-7-14/h10,13H,4-9H2,1-3H3

InChIKey

KEQBTRKQDYXHTO-UHFFFAOYSA-N

Compound name

tert-butyl 3-piperazin-1-ylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 241.17903 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]+	242.186306	160.7
[M+Na]+	264.168248	163.0
[M-H]-	240.171754	160.4
[M+NH4]+	259.212853	166.9
[M+K]+	280.142188	164.4
[M+H-H2O]+	224.176290	147.1
[M+HCOO]-	286.177231	170.8
[M+CH3COO]-	300.192881	192.0
[M+Na-2H]-	262.153696	162.0
[M]+	241.17848142	163.9
[M]-	241.17957858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe