CID 53426216

921199-39-5

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CO2

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-6-4-9(5-7-13)10-8-15-10/h9-10H,4-8H2,1-3H3

InChIKey

MHJCAROLVBMINS-UHFFFAOYSA-N

Compound name

tert-butyl 4-(oxiran-2-yl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 227.15215 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]+	228.15943	155.2
[M+Na]+	250.14137	166.1
[M+NH4]+	245.18597	162.7
[M+K]+	266.11531	163.5
[M-H]-	226.14487	164.2
[M+Na-2H]-	248.12682	161.2
[M]+	227.15160	160.2
[M]-	227.15270	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe