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: 43079
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	162.6
[M+Na]+	253.14103	168.5
[M-H]-	229.14453	170.3
[M+NH4]+	248.18563	167.5
[M+K]+	269.11497	169.7
[M+H-H2O]+	213.14907	155.0
[M+HCOO]-	275.15001	180.6
[M+CH3COO]-	289.16566	201.3
[M+Na-2H]-	251.12648	167.0
[M]+	230.15126	173.1
[M]-	230.15236	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe