CID 108557

61565-20-6

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCOC(C)OCCCC#CCO

InChI

InChI=1S/C10H18O3/c1-3-12-10(2)13-9-7-5-4-6-8-11/h10-11H,3,5,7-9H2,1-2H3

InChIKey

PNORXTMXJGBDBP-UHFFFAOYSA-N

Compound name

6-(1-ethoxyethoxy)hex-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 1.0
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]+	187.132876	140.1
[M+Na]+	209.114818	147.8
[M-H]-	185.118324	138.2
[M+NH4]+	204.159423	157.5
[M+K]+	225.088758	146.5
[M+H-H2O]+	169.122860	129.3
[M+HCOO]-	231.123801	155.8
[M+CH3COO]-	245.139451	188.6
[M+Na-2H]-	207.100266	143.3
[M]+	186.12505142	138.5
[M]-	186.12614858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.