CID 10987983

206989-61-9

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3

InChIKey

HNVBBNZWMSTMAZ-UHFFFAOYSA-N

Compound name

tert-butyl 4-acetylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 881
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]+	228.15943	153.4
[M+Na]+	250.14137	161.9
[M+NH4]+	245.18597	159.5
[M+K]+	266.11531	158.5
[M-H]-	226.14487	152.3
[M+Na-2H]-	248.12682	155.7
[M]+	227.15160	154.0
[M]-	227.15270	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe