CID 15903

1,5-hexadiene diepoxide

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1C(O1)CCC2CO2

InChI

InChI=1S/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2

InChIKey

HTJFSXYVAKSPNF-UHFFFAOYSA-N

Compound name

2-[2-(oxiran-2-yl)ethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1912
Patents: 114.06808 Da
Monoisotopic Mass: 0.3
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]+	115.07536	109.4
[M+Na]+	137.05730	122.1
[M+NH4]+	132.10190	118.4
[M+K]+	153.03124	121.6
[M-H]-	113.06080	125.5
[M+Na-2H]-	135.04275	120.5
[M]+	114.06753	117.7
[M]-	114.06863	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe