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: 6211
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	115.0
[M+Na]+	165.08860	127.5
[M+NH4]+	160.13320	123.8
[M+K]+	181.06254	126.7
[M-H]-	141.09210	131.1
[M+Na-2H]-	163.07405	125.8
[M]+	142.09883	123.3
[M]-	142.09993	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe