CID 81115

Allylcyclohexylamine

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: 906
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	133.0
[M+Na]+	162.12532	143.0
[M+NH4]+	157.16992	142.3
[M+K]+	178.09926	135.7
[M-H]-	138.12882	136.0
[M+Na-2H]-	160.11077	138.6
[M]+	139.13555	135.0
[M]-	139.13665	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe