CID 10855384

Hex-5-yn-1-amine

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C#CCCCCN

InChI

InChI=1S/C6H11N/c1-2-3-4-5-6-7/h1H,3-7H2

InChIKey

ONUHRYKLJYSRMY-UHFFFAOYSA-N

Compound name

hex-5-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 382
Patents: 97.08915 Da
Monoisotopic Mass: 0.6
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]+	98.096426	119.7
[M+Na]+	120.07837	128.5
[M-H]-	96.081874	119.0
[M+NH4]+	115.12297	140.2
[M+K]+	136.05231	126.9
[M+H-H2O]+	80.086410	109.3
[M+HCOO]-	142.08735	138.3
[M+CH3COO]-	156.10300	179.0
[M+Na-2H]-	118.06382	125.5
[M]+	97.088601	113.5
[M]-	97.089699	113.5

Literature stripe

literature stripe

Patent stripe

patents stripe