CID 22278899

324769-06-4

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC1(CN(CCC1=O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h6-8H2,1-5H3

InChIKey

MXCAGVCUIHYAGH-UHFFFAOYSA-N

Compound name

tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 722
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	151.0
[M+Na]+	250.14137	157.8
[M-H]-	226.14487	153.2
[M+NH4]+	245.18597	170.4
[M+K]+	266.11531	157.6
[M+H-H2O]+	210.14941	146.3
[M+HCOO]-	272.15035	167.6
[M+CH3COO]-	286.16600	189.5
[M+Na-2H]-	248.12682	154.7
[M]+	227.15160	151.1
[M]-	227.15270	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe