CID 23852

Non-1-yn-3-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCCCCC(C#C)O

InChI

InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h2,9-10H,3,5-8H2,1H3

InChIKey

XVJKCRIRKNGKPN-UHFFFAOYSA-N

Compound name

non-1-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 140.12012 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]+	141.12740	130.9
[M+Na]+	163.10934	140.7
[M+NH4]+	158.15394	135.2
[M+K]+	179.08328	132.2
[M-H]-	139.11284	122.5
[M+Na-2H]-	161.09479	131.6
[M]+	140.11957	129.0
[M]-	140.12067	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe