CID 551629

(cyclohexylmethyl)(propyl)amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CCCNCC1CCCCC1

InChI

InChI=1S/C10H21N/c1-2-8-11-9-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3

InChIKey

HIAYJLWFQQQPGR-UHFFFAOYSA-N

Compound name

N-(cyclohexylmethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 155.1674 Da
Monoisotopic Mass: 3.1
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]+	156.17468	138.0
[M+Na]+	178.15662	140.9
[M-H]-	154.16012	140.2
[M+NH4]+	173.20122	158.5
[M+K]+	194.13056	139.5
[M+H-H2O]+	138.16466	131.9
[M+HCOO]-	200.16560	158.9
[M+CH3COO]-	214.18125	180.4
[M+Na-2H]-	176.14207	142.9
[M]+	155.16685	133.2
[M]-	155.16795	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe