CID 107271

1,3-dioxolane, 2-(1-ethylpentyl)-

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCC(CC)C1OCCO1

InChI

InChI=1S/C10H20O2/c1-3-5-6-9(4-2)10-11-7-8-12-10/h9-10H,3-8H2,1-2H3

InChIKey

LQSZQAHPRJMRET-UHFFFAOYSA-N

Compound name

2-heptan-3-yl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 250
Patents: 172.14633 Da
Monoisotopic Mass: 3.0
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]+	173.153606	142.7
[M+Na]+	195.135548	147.3
[M-H]-	171.139054	146.4
[M+NH4]+	190.180153	162.0
[M+K]+	211.109488	149.0
[M+H-H2O]+	155.143590	137.5
[M+HCOO]-	217.144531	162.2
[M+CH3COO]-	231.160181	180.1
[M+Na-2H]-	193.120996	146.7
[M]+	172.14578142	144.2
[M]-	172.14687858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe