CID 53416068

90608-67-6

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

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

InChI

InChI=1S/C9H15NO2/c1-9(2,3)10-5-4-7(11)6-8(10)12/h4-6H2,1-3H3

InChIKey

AULPPKYDOKRGAY-UHFFFAOYSA-N

Compound name

1-tert-butylpiperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 169.11028 Da
Monoisotopic Mass: 0.4
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]+	170.11756	136.3
[M+Na]+	192.09950	143.7
[M-H]-	168.10300	138.5
[M+NH4]+	187.14410	155.9
[M+K]+	208.07344	142.7
[M+H-H2O]+	152.10754	131.0
[M+HCOO]-	214.10848	154.6
[M+CH3COO]-	228.12413	179.3
[M+Na-2H]-	190.08495	141.1
[M]+	169.10973	134.3
[M]-	169.11083	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe