CID 14088188

1-(aminomethyl)-n-methylcyclohexan-1-amine

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CNC1(CCCCC1)CN

InChI

InChI=1S/C8H18N2/c1-10-8(7-9)5-3-2-4-6-8/h10H,2-7,9H2,1H3

InChIKey

JAIQRJHHIZIWGR-UHFFFAOYSA-N

Compound name

1-(aminomethyl)-N-methylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 142.147 Da
Monoisotopic Mass: 0.5
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]+	143.15428	132.2
[M+Na]+	165.13622	136.2
[M-H]-	141.13972	134.5
[M+NH4]+	160.18082	154.6
[M+K]+	181.11016	135.0
[M+H-H2O]+	125.14426	127.0
[M+HCOO]-	187.14520	154.1
[M+CH3COO]-	201.16085	178.0
[M+Na-2H]-	163.12167	138.6
[M]+	142.14645	125.2
[M]-	142.14755	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe