CID 22561486

4-(sec-butyl)cyclohexanamine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CCC(C)C1CCC(CC1)N

InChI

InChI=1S/C10H21N/c1-3-8(2)9-4-6-10(11)7-5-9/h8-10H,3-7,11H2,1-2H3

InChIKey

PVQLHUCSNDRLDP-UHFFFAOYSA-N

Compound name

4-butan-2-ylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 155.1674 Da
Monoisotopic Mass: 2.7
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	138.0
[M+Na]+	178.15662	147.5
[M+NH4]+	173.20122	147.1
[M+K]+	194.13056	141.3
[M-H]-	154.16012	140.8
[M+Na-2H]-	176.14207	142.4
[M]+	155.16685	139.9
[M]-	155.16795	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe