CID 80017

Non-2-yn-1-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCCCCC#CCO

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-6,9H2,1H3

InChIKey

XERDOEKKHDALKJ-UHFFFAOYSA-N

Compound name

non-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 140.12012 Da
Monoisotopic Mass: 2.8
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]+	141.12740	130.5
[M+Na]+	163.10934	138.9
[M-H]-	139.11284	128.8
[M+NH4]+	158.15394	149.7
[M+K]+	179.08328	136.4
[M+H-H2O]+	123.11738	120.3
[M+HCOO]-	185.11832	147.0
[M+CH3COO]-	199.13397	181.7
[M+Na-2H]-	161.09479	135.3
[M]+	140.11957	126.5
[M]-	140.12067	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe