CID 55290583

Non-8-yn-1-amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C#CCCCCCCCN

InChI

InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h1H,3-10H2

InChIKey

GAITWUBYOUVYMB-UHFFFAOYSA-N

Compound name

non-8-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 139.1361 Da
Monoisotopic Mass: 2.6
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]+	140.143376	131.4
[M+Na]+	162.125318	139.2
[M-H]-	138.128824	130.3
[M+NH4]+	157.169923	150.5
[M+K]+	178.099258	136.8
[M+H-H2O]+	122.133360	120.6
[M+HCOO]-	184.134301	149.2
[M+CH3COO]-	198.149951	187.2
[M+Na-2H]-	160.110766	135.8
[M]+	139.13555142	126.3
[M]-	139.13664858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe