CID 217401

Cyclohexanamine, 4-hexyl-, sulfate (2:1)

Structural Information

Molecular Formula

C₁₂H₂₅N

SMILES

CCCCCCC1CCC(CC1)N

InChI

InChI=1S/C12H25N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h11-12H,2-10,13H2,1H3

InChIKey

FFJNGIHLJPVTBK-UHFFFAOYSA-N

Compound name

4-hexylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 183.1987 Da
Monoisotopic Mass: 4.1
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]+	184.20598	147.4
[M+Na]+	206.18792	150.4
[M-H]-	182.19142	149.0
[M+NH4]+	201.23252	166.8
[M+K]+	222.16186	148.1
[M+H-H2O]+	166.19596	141.2
[M+HCOO]-	228.19690	166.9
[M+CH3COO]-	242.21255	186.8
[M+Na-2H]-	204.17337	149.4
[M]+	183.19815	142.6
[M]-	183.19925	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe