CID 81115

6628-00-8

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C=CCNC1CCCCC1

InChI

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

InChIKey

SQGBZKZDUMBTIJ-UHFFFAOYSA-N

Compound name

N-prop-2-enylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 845
Patents: 139.1361 Da
Monoisotopic Mass: 2.3
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	132.2
[M+Na]+	162.12532	135.8
[M-H]-	138.12882	134.5
[M+NH4]+	157.16992	153.2
[M+K]+	178.09926	134.0
[M+H-H2O]+	122.13336	126.4
[M+HCOO]-	184.13430	153.5
[M+CH3COO]-	198.14995	176.4
[M+Na-2H]-	160.11077	137.7
[M]+	139.13555	126.2
[M]-	139.13665	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe