CID 85960

1,6-hexanediol diglycidyl ether

Structural Information

Molecular Formula

C₁₂H₂₂O₄

SMILES

C1C(O1)COCCCCCCOCC2CO2

InChI

InChI=1S/C12H22O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h11-12H,1-10H2

InChIKey

WTYYGFLRBWMFRY-UHFFFAOYSA-N

Compound name

2-[6-(oxiran-2-ylmethoxy)hexoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 40122
Patents: 230.15181 Da
Monoisotopic Mass: 0.7
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]+	231.15909	133.0
[M+Na]+	253.14103	144.2
[M+NH4]+	248.18563	140.4
[M+K]+	269.11497	143.4
[M-H]-	229.14453	148.3
[M+Na-2H]-	251.12648	142.3
[M]+	230.15126	140.7
[M]-	230.15236	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe