CID 18718

N-(3-aminopropyl)cyclohexylamine

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

C1CCC(CC1)NCCCN

InChI

InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2

InChIKey

ITZPOSYADVYECJ-UHFFFAOYSA-N

Compound name

N'-cyclohexylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 6659
Patents: 156.16264 Da
Monoisotopic Mass: 1.6
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]+	157.16992	136.9
[M+Na]+	179.15186	139.4
[M-H]-	155.15536	138.5
[M+NH4]+	174.19646	156.6
[M+K]+	195.12580	137.7
[M+H-H2O]+	139.15990	130.5
[M+HCOO]-	201.16084	158.4
[M+CH3COO]-	215.17649	181.5
[M+Na-2H]-	177.13731	141.6
[M]+	156.16209	129.9
[M]-	156.16319	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe