CID 239248

Dtxsid80982572

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CCCCCC(=O)NCC(C)C

InChI

InChI=1S/C10H21NO/c1-4-5-6-7-10(12)11-8-9(2)3/h9H,4-8H2,1-3H3,(H,11,12)

InChIKey

GALBASZQDFWTEP-UHFFFAOYSA-N

Compound name

N-(2-methylpropyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 171.16231 Da
Monoisotopic Mass: 2.8
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	144.4
[M+Na]+	194.151528	149.0
[M-H]-	170.155034	144.1
[M+NH4]+	189.196133	164.6
[M+K]+	210.125468	148.5
[M+H-H2O]+	154.159570	139.0
[M+HCOO]-	216.160511	166.3
[M+CH3COO]-	230.176161	186.2
[M+Na-2H]-	192.136976	146.9
[M]+	171.16176142	145.7
[M]-	171.16285858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe