CID 17048

1,2,7,8-diepoxyoctane

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1C(O1)CCCCC2CO2

InChI

InChI=1S/C8H14O2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2

InChIKey

LFKLPJRVSHJZPL-UHFFFAOYSA-N

Compound name

2-[4-(oxiran-2-yl)butyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 6708
Patents: 142.09938 Da
Monoisotopic Mass: 1.0
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]+	143.10666	141.3
[M+Na]+	165.08860	148.7
[M-H]-	141.09210	149.7
[M+NH4]+	160.13320	149.2
[M+K]+	181.06254	150.6
[M+H-H2O]+	125.09664	134.4
[M+HCOO]-	187.09758	160.2
[M+CH3COO]-	201.11323	188.1
[M+Na-2H]-	163.07405	147.6
[M]+	142.09883	148.0
[M]-	142.09993	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe