CID 425326

37942-69-1

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CCCCC1CCC(CC1)N

InChI

InChI=1S/C10H21N/c1-2-3-4-9-5-7-10(11)8-6-9/h9-10H,2-8,11H2,1H3

InChIKey

PZNZCCLRGXLYJI-UHFFFAOYSA-N

Compound name

4-butylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 266
Patents: 155.1674 Da
Monoisotopic Mass: 3.0
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]+	156.17468	138.3
[M+Na]+	178.15662	142.3
[M-H]-	154.16012	140.4
[M+NH4]+	173.20122	158.9
[M+K]+	194.13056	140.4
[M+H-H2O]+	138.16466	132.6
[M+HCOO]-	200.16560	158.5
[M+CH3COO]-	214.18125	180.7
[M+Na-2H]-	176.14207	141.5
[M]+	155.16685	132.8
[M]-	155.16795	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe