CID 214541

33421-71-5

Structural Information

Molecular Formula

C₁₆H₃₂N₂O₂

SMILES

CC(C)(C)CC(C)(C)C(=O)OCCN1CCN(CC1)C

InChI

InChI=1S/C16H32N2O2/c1-15(2,3)13-16(4,5)14(19)20-12-11-18-9-7-17(6)8-10-18/h7-13H2,1-6H3

InChIKey

XHYDVCPVDUAFNM-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)ethyl 2,2,4,4-tetramethylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.24637 Da
Monoisotopic Mass: 2.9
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]+	285.253646	174.3
[M+Na]+	307.235588	177.6
[M-H]-	283.239094	173.7
[M+NH4]+	302.280193	187.7
[M+K]+	323.209528	176.3
[M+H-H2O]+	267.243630	167.1
[M+HCOO]-	329.244571	186.1
[M+CH3COO]-	343.260221	203.5
[M+Na-2H]-	305.221036	175.8
[M]+	284.24582142	174.4
[M]-	284.24691858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.