CID 103168894

1-cyclobutylbut-3-yn-2-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

C#CC(CC1CCC1)N

InChI

InChI=1S/C8H13N/c1-2-8(9)6-7-4-3-5-7/h1,7-8H,3-6,9H2

InChIKey

ODJNVFRRAHTFIC-UHFFFAOYSA-N

Compound name

1-cyclobutylbut-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 123.1048 Da
Monoisotopic Mass: 1.4
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	130.9
[M+Na]+	146.09402	136.4
[M+NH4]+	141.13862	132.6
[M+K]+	162.06796	129.8
[M-H]-	122.09752	122.6
[M+Na-2H]-	144.07947	130.6
[M]+	123.10425	127.3
[M]-	123.10535	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.