CID 6437396

61565-21-7

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCOC(C)OCCC/C=C/CO

InChI

InChI=1S/C10H20O3/c1-3-12-10(2)13-9-7-5-4-6-8-11/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4+

InChIKey

AVODNDZHWMDWPN-GQCTYLIASA-N

Compound name

(E)-6-(1-ethoxyethoxy)hex-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 1.3
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]+	189.14853	146.1
[M+Na]+	211.13047	151.3
[M-H]-	187.13397	144.3
[M+NH4]+	206.17507	165.2
[M+K]+	227.10441	150.4
[M+H-H2O]+	171.13851	140.8
[M+HCOO]-	233.13945	167.0
[M+CH3COO]-	247.15510	181.8
[M+Na-2H]-	209.11592	149.2
[M]+	188.14070	149.9
[M]-	188.14180	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.