CID 121691

1-ethynylcyclohexylamine

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

C#CC1(CCCCC1)N

InChI

InChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2

InChIKey

GDKOYYDQISQOMH-UHFFFAOYSA-N

Compound name

1-ethynylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 863
Patents: 123.1048 Da
Monoisotopic Mass: 1.0
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]+	124.11208	129.1
[M+Na]+	146.09402	139.2
[M+NH4]+	141.13862	136.1
[M+K]+	162.06796	128.4
[M-H]-	122.09752	123.8
[M+Na-2H]-	144.07947	133.1
[M]+	123.10425	128.2
[M]-	123.10535	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe