CID 17354

2549-93-1

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

C1CC(CCC1CN)CN

InChI

InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2

InChIKey

OXIKYYJDTWKERT-UHFFFAOYSA-N

Compound name

[4-(aminomethyl)cyclohexyl]methanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 24019
Patents: 142.147 Da
Monoisotopic Mass: 0.1
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]+	143.15428	133.0
[M+Na]+	165.13622	137.0
[M-H]-	141.13972	134.8
[M+NH4]+	160.18082	153.4
[M+K]+	181.11016	135.2
[M+H-H2O]+	125.14426	127.1
[M+HCOO]-	187.14520	154.2
[M+CH3COO]-	201.16085	178.9
[M+Na-2H]-	163.12167	136.5
[M]+	142.14645	125.0
[M]-	142.14755	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe