CID 78067

2-heptyl-1,3-dioxolane

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCCCC1OCCO1

InChI

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h10H,2-9H2,1H3

InChIKey

LWJBQKKNODYJEI-UHFFFAOYSA-N

Compound name

2-heptyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 114
Patents: 172.14633 Da
Monoisotopic Mass: 3.3
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]+	173.15361	141.7
[M+Na]+	195.13555	146.6
[M-H]-	171.13905	145.3
[M+NH4]+	190.18015	161.1
[M+K]+	211.10949	147.9
[M+H-H2O]+	155.14359	136.4
[M+HCOO]-	217.14453	162.2
[M+CH3COO]-	231.16018	179.3
[M+Na-2H]-	193.12100	147.0
[M]+	172.14578	143.8
[M]-	172.14688	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe