CID 110694

5694-99-5

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCCCC(CO)C1(OCCO1)C

InChI

InChI=1S/C10H20O3/c1-3-4-5-9(8-11)10(2)12-6-7-13-10/h9,11H,3-8H2,1-2H3

InChIKey

SXWVGDHYDPPGEA-UHFFFAOYSA-N

Compound name

2-(2-methyl-1,3-dioxolan-2-yl)hexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 1.6
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]+	189.14853	144.4
[M+Na]+	211.13047	149.4
[M-H]-	187.13397	147.1
[M+NH4]+	206.17507	164.4
[M+K]+	227.10441	150.9
[M+H-H2O]+	171.13851	140.2
[M+HCOO]-	233.13945	162.6
[M+CH3COO]-	247.15510	179.1
[M+Na-2H]-	209.11592	149.3
[M]+	188.14070	145.8
[M]-	188.14180	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe