CID 12352598

Nona-3,6-diyn-1-ol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CCC#CCC#CCCO

InChI

InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h10H,2,5,8-9H2,1H3

InChIKey

ASBDYPIHQWUNHE-UHFFFAOYSA-N

Compound name

nona-3,6-diyn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 136.08882 Da
Monoisotopic Mass: 1.8
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]+	137.09610	154.0
[M+Na]+	159.07804	161.9
[M+NH4]+	154.12264	154.5
[M+K]+	175.05198	151.7
[M-H]-	135.08154	141.7
[M+Na-2H]-	157.06349	151.7
[M]+	136.08827	150.3
[M]-	136.08937	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe