CID 3544722

N-butylcyclohexanecarboxamide

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CCCCNC(=O)C1CCCCC1

InChI

InChI=1S/C11H21NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,12,13)

InChIKey

WHJBSNFKYDXSDN-UHFFFAOYSA-N

Compound name

N-butylcyclohexanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 183.16231 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]+	184.169586	145.3
[M+Na]+	206.151528	147.9
[M-H]-	182.155034	147.3
[M+NH4]+	201.196133	164.5
[M+K]+	222.125468	146.5
[M+H-H2O]+	166.159570	138.9
[M+HCOO]-	228.160511	165.2
[M+CH3COO]-	242.176161	184.6
[M+Na-2H]-	204.136976	148.4
[M]+	183.16176142	140.8
[M]-	183.16285858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe