CID 55287113

3-cyclohexylazetidine hydrochloride

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CCC(CC1)C2CNC2

InChI

InChI=1S/C9H17N/c1-2-4-8(5-3-1)9-6-10-7-9/h8-10H,1-7H2

InChIKey

MTKFRSYJQSSPBJ-UHFFFAOYSA-N

Compound name

3-cyclohexylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 139.1361 Da
Monoisotopic Mass: 2.6
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]+	140.14338	128.2
[M+Na]+	162.12532	130.8
[M-H]-	138.12882	130.8
[M+NH4]+	157.16992	141.0
[M+K]+	178.09926	131.8
[M+H-H2O]+	122.13336	116.7
[M+HCOO]-	184.13430	144.2
[M+CH3COO]-	198.14995	174.4
[M+Na-2H]-	160.11077	132.9
[M]+	139.13555	128.5
[M]-	139.13665	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe