CID 62314140

3-(cyclohexylmethyl)azetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CCC(CC1)CC2CNC2

InChI

InChI=1S/C10H19N/c1-2-4-9(5-3-1)6-10-7-11-8-10/h9-11H,1-8H2

InChIKey

SMWQQSANRRMMRU-UHFFFAOYSA-N

Compound name

3-(cyclohexylmethyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.15175 Da
Monoisotopic Mass: 2.9
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]+	154.159026	132.8
[M+Na]+	176.140968	135.0
[M-H]-	152.144474	135.1
[M+NH4]+	171.185573	145.0
[M+K]+	192.114908	135.6
[M+H-H2O]+	136.149010	121.0
[M+HCOO]-	198.149951	148.4
[M+CH3COO]-	212.165601	177.3
[M+Na-2H]-	174.126416	136.9
[M]+	153.15120142	133.4
[M]-	153.15229858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.