CID 59506077

2126176-76-7

Structural Information

Molecular Formula

C₁₃H₂₄N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)OC2CCNCC2

InChI

InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-8-11(9-15)17-10-4-6-14-7-5-10/h10-11,14H,4-9H2,1-3H3

InChIKey

SJIOEXVHZCHRRZ-UHFFFAOYSA-N

Compound name

tert-butyl 3-piperidin-4-yloxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 256.17868 Da
Monoisotopic Mass: 0.9
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]+	257.185956	161.8
[M+Na]+	279.167898	163.4
[M-H]-	255.171404	162.7
[M+NH4]+	274.212503	168.6
[M+K]+	295.141838	165.4
[M+H-H2O]+	239.175940	148.7
[M+HCOO]-	301.176881	173.1
[M+CH3COO]-	315.192531	194.2
[M+Na-2H]-	277.153346	162.9
[M]+	256.17813142	166.3
[M]-	256.17922858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe