CID 104995745

1-cyclopentylbut-3-yn-2-amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C#CC(CC1CCCC1)N

InChI

InChI=1S/C9H15N/c1-2-9(10)7-8-5-3-4-6-8/h1,8-9H,3-7,10H2

InChIKey

JOKISAPPRHXRJS-UHFFFAOYSA-N

Compound name

1-cyclopentylbut-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 137.12045 Da
Monoisotopic Mass: 2.0
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]+	138.12773	134.6
[M+Na]+	160.10967	141.9
[M-H]-	136.11317	135.6
[M+NH4]+	155.15427	154.7
[M+K]+	176.08361	138.3
[M+H-H2O]+	120.11771	122.9
[M+HCOO]-	182.11865	150.7
[M+CH3COO]-	196.13430	184.3
[M+Na-2H]-	158.09512	135.9
[M]+	137.11990	124.4
[M]-	137.12100	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.