CID 55289600

2361635-64-3

Structural Information

Molecular Formula

SMILES

C#CC#CCN

InChI

InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,5-6H2

InChIKey

HBHNOOGQTIDKQX-UHFFFAOYSA-N

Compound name

penta-2,4-diyn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 79.0422 Da
Monoisotopic Mass: -0.2
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]+	80.049476	145.5
[M+Na]+	102.03142	153.4
[M+NH4]+	97.076023	146.5
[M+K]+	118.00536	143.7
[M-H]-	78.034924	134.0
[M+Na-2H]-	100.01687	143.9
[M]+	79.041651	142.0
[M]-	79.042749	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe