CID 24210

N-cyclohexyl-n-methylcyclohexanamine

Structural Information

Molecular Formula

C₁₃H₂₅N

SMILES

CN(C1CCCCC1)C2CCCCC2

InChI

InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3

InChIKey

GSCCALZHGUWNJW-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N-methylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 16947
Patents: 195.1987 Da
Monoisotopic Mass: 3.7
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]+	196.205976	148.8
[M+Na]+	218.187918	148.8
[M-H]-	194.191424	154.4
[M+NH4]+	213.232523	167.5
[M+K]+	234.161858	147.8
[M+H-H2O]+	178.195960	141.1
[M+HCOO]-	240.196901	166.3
[M+CH3COO]-	254.212551	189.6
[M+Na-2H]-	216.173366	150.8
[M]+	195.19815142	139.3
[M]-	195.19924858	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe