CID 20071434

58757-86-1

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

C#CCOCCCCCCO

InChI

InChI=1S/C9H16O2/c1-2-8-11-9-6-4-3-5-7-10/h1,10H,3-9H2

InChIKey

YTNZKCVKQFVCJY-UHFFFAOYSA-N

Compound name

6-prop-2-ynoxyhexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 156.11504 Da
Monoisotopic Mass: 0.9
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]+	157.122316	132.0
[M+Na]+	179.104258	140.3
[M-H]-	155.107764	130.2
[M+NH4]+	174.148863	150.4
[M+K]+	195.078198	138.2
[M+H-H2O]+	139.112300	121.5
[M+HCOO]-	201.113241	148.7
[M+CH3COO]-	215.128891	184.6
[M+Na-2H]-	177.089706	136.9
[M]+	156.11449142	129.5
[M]-	156.11558858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe