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]+	228.159426	156.1
[M+Na]+	250.141368	162.8
[M-H]-	226.144874	162.3
[M+NH4]+	245.185973	167.1
[M+K]+	266.115308	162.4
[M+H-H2O]+	210.149410	148.9
[M+HCOO]-	272.150351	171.9
[M+CH3COO]-	286.166001	191.2
[M+Na-2H]-	248.126816	159.9
[M]+	227.15160142	157.9
[M]-	227.15269858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe