CID 126976906

3-cycloheptylazetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CCCC(CC1)C2CNC2

InChI

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

InChIKey

SXCKXIIYPUMWKU-UHFFFAOYSA-N

Compound name

3-cycloheptylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.15175 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]+	154.159026	131.9
[M+Na]+	176.140968	132.7
[M-H]-	152.144474	135.3
[M+NH4]+	171.185573	143.1
[M+K]+	192.114908	136.0
[M+H-H2O]+	136.149010	121.8
[M+HCOO]-	198.149951	146.9
[M+CH3COO]-	212.165601	179.5
[M+Na-2H]-	174.126416	135.6
[M]+	153.15120142	129.4
[M]-	153.15229858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.