CID 99355

1-(3-oxo-2,2,4-trimethylvaleryl)piperidine

Structural Information

Molecular Formula

C₁₃H₂₃NO₂

SMILES

CC(C)C(=O)C(C)(C)C(=O)N1CCCCC1

InChI

InChI=1S/C13H23NO2/c1-10(2)11(15)13(3,4)12(16)14-8-6-5-7-9-14/h10H,5-9H2,1-4H3

InChIKey

SLTCQIMTEMTYEH-UHFFFAOYSA-N

Compound name

2,2,4-trimethyl-1-piperidin-1-ylpentane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.17288 Da
Monoisotopic Mass: 2.4
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]+	226.180156	154.4
[M+Na]+	248.162098	157.4
[M-H]-	224.165604	155.3
[M+NH4]+	243.206703	170.9
[M+K]+	264.136038	156.9
[M+H-H2O]+	208.170140	148.2
[M+HCOO]-	270.171081	168.4
[M+CH3COO]-	284.186731	191.6
[M+Na-2H]-	246.147546	154.9
[M]+	225.17233142	151.1
[M]-	225.17342858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.