CID 70483139

4-hexyl-2-methoxy-1,3-dioxolane

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCCCCCC1COC(O1)OC

InChI

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

InChIKey

LBANROLVFDLXGT-UHFFFAOYSA-N

Compound name

4-hexyl-2-methoxy-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 188.14125 Da
Monoisotopic Mass: 2.8
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]+	189.148526	144.1
[M+Na]+	211.130468	149.8
[M-H]-	187.133974	148.1
[M+NH4]+	206.175073	163.1
[M+K]+	227.104408	151.5
[M+H-H2O]+	171.138510	138.9
[M+HCOO]-	233.139451	164.8
[M+CH3COO]-	247.155101	182.4
[M+Na-2H]-	209.115916	148.8
[M]+	188.14070142	148.1
[M]-	188.14179858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe