CID 101046

N,2,2-triethylbutyramide

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CCC(CC)(CC)C(=O)NCC

InChI

InChI=1S/C10H21NO/c1-5-10(6-2,7-3)9(12)11-8-4/h5-8H2,1-4H3,(H,11,12)

InChIKey

KNBPKAJPYBLHSX-UHFFFAOYSA-N

Compound name

N,2,2-triethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 171.16231 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]+	172.169586	143.3
[M+Na]+	194.151528	148.6
[M-H]-	170.155034	143.3
[M+NH4]+	189.196133	163.8
[M+K]+	210.125468	148.0
[M+H-H2O]+	154.159570	138.5
[M+HCOO]-	216.160511	164.7
[M+CH3COO]-	230.176161	185.6
[M+Na-2H]-	192.136976	147.9
[M]+	171.16176142	144.8
[M]-	171.16285858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe