CID 123437

Non-3-yn-1-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCCCC#CCCO

InChI

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

InChIKey

TZZVRLFUTNYDEG-UHFFFAOYSA-N

Compound name

non-3-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 140.12012 Da
Monoisotopic Mass: 2.7
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	131.1
[M+Na]+	163.10934	141.2
[M+NH4]+	158.15394	135.5
[M+K]+	179.08328	132.0
[M-H]-	139.11284	122.9
[M+Na-2H]-	161.09479	132.1
[M]+	140.11957	129.2
[M]-	140.12067	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe