CID 105511196

2470438-11-8

Structural Information

Molecular Formula

C₁₃H₂₅N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2CNC2

InChI

InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-6-4-15(5-7-16)10-11-8-14-9-11/h11,14H,4-10H2,1-3H3

InChIKey

WTCYIEFEBCJCIA-UHFFFAOYSA-N

Compound name

tert-butyl 4-(azetidin-3-ylmethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 255.19467 Da
Monoisotopic Mass: 0.5
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]+	256.201946	165.2
[M+Na]+	278.183888	167.1
[M-H]-	254.187394	164.7
[M+NH4]+	273.228493	170.8
[M+K]+	294.157828	168.2
[M+H-H2O]+	238.191930	151.3
[M+HCOO]-	300.192871	174.9
[M+CH3COO]-	314.208521	194.9
[M+Na-2H]-	276.169336	166.0
[M]+	255.19412142	168.7
[M]-	255.19521858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe