CID 56963412

1251006-64-0

Structural Information

Molecular Formula

C₁₃H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)C2CCNCC2

InChI

InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-11(9-15)10-4-6-14-7-5-10/h10-11,14H,4-9H2,1-3H3

InChIKey

NVJNOFWSEGNPKX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 240.18378 Da
Monoisotopic Mass: 1.5
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]+	241.19106	160.7
[M+Na]+	263.17300	164.5
[M+NH4]+	258.21760	162.9
[M+K]+	279.14694	162.3
[M-H]-	239.17650	157.9
[M+Na-2H]-	261.15845	161.0
[M]+	240.18323	158.9
[M]-	240.18433	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe