CID 22561486

4-sec-butylcyclohexylamine

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: 179
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	138.9
[M+Na]+	178.15662	142.6
[M-H]-	154.16012	141.0
[M+NH4]+	173.20122	159.4
[M+K]+	194.13056	141.2
[M+H-H2O]+	138.16466	133.2
[M+HCOO]-	200.16560	158.1
[M+CH3COO]-	214.18125	181.6
[M+Na-2H]-	176.14207	140.8
[M]+	155.16685	132.7
[M]-	155.16795	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe