CID 47376

4-ethyl-5-octyn-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CCCC(CC)(C#CCC)N

InChI

InChI=1S/C10H19N/c1-4-7-9-10(11,6-3)8-5-2/h4-6,8,11H2,1-3H3

InChIKey

UAMUBHAJOIVRRR-UHFFFAOYSA-N

Compound name

4-ethyloct-5-yn-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.15175 Da
Monoisotopic Mass: 2.3
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]+	154.15903	139.7
[M+Na]+	176.14097	147.5
[M-H]-	152.14447	138.8
[M+NH4]+	171.18557	158.5
[M+K]+	192.11491	145.4
[M+H-H2O]+	136.14901	129.3
[M+HCOO]-	198.14995	155.7
[M+CH3COO]-	212.16560	189.0
[M+Na-2H]-	174.12642	143.7
[M]+	153.15120	134.2
[M]-	153.15230	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.