CID 12910255

2-(prop-2-en-1-yl)cyclohexan-1-amine

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C=CCC1CCCCC1N

InChI

InChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h2,8-9H,1,3-7,10H2

InChIKey

FHBMYNJEZCLYTL-UHFFFAOYSA-N

Compound name

2-prop-2-enylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 139.1361 Da
Monoisotopic Mass: 2.1
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]+	140.14338	132.4
[M+Na]+	162.12532	137.1
[M-H]-	138.12882	134.7
[M+NH4]+	157.16992	153.5
[M+K]+	178.09926	134.9
[M+H-H2O]+	122.13336	126.9
[M+HCOO]-	184.13430	153.1
[M+CH3COO]-	198.14995	176.8
[M+Na-2H]-	160.11077	136.1
[M]+	139.13555	125.9
[M]-	139.13665	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe