CID 22258947

372159-76-7

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CC=O

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-5-10(9-13)6-8-14/h8,10H,4-7,9H2,1-3H3

InChIKey

IOZGGOSCHPGERX-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-oxoethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 227.15215 Da
Monoisotopic Mass: 1.3
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	153.9
[M+Na]+	250.141368	158.8
[M-H]-	226.144874	155.3
[M+NH4]+	245.185973	170.9
[M+K]+	266.115308	158.1
[M+H-H2O]+	210.149410	147.7
[M+HCOO]-	272.150351	170.4
[M+CH3COO]-	286.166001	188.8
[M+Na-2H]-	248.126816	156.6
[M]+	227.15160142	153.2
[M]-	227.15269858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe