CID 93900

Diethyleneglycol diallyl ether

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C=CCOCCOCCOCC=C

InChI

InChI=1S/C10H18O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-4H,1-2,5-10H2

InChIKey

XSSOJMFOKGTAFU-UHFFFAOYSA-N

Compound name

3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4188
Patents: 186.1256 Da
Monoisotopic Mass: 1.1
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]+	187.13288	142.7
[M+Na]+	209.11482	148.9
[M-H]-	185.11832	142.3
[M+NH4]+	204.15942	162.6
[M+K]+	225.08876	147.8
[M+H-H2O]+	169.12286	137.3
[M+HCOO]-	231.12380	166.4
[M+CH3COO]-	245.13945	183.5
[M+Na-2H]-	207.10027	147.9
[M]+	186.12505	148.6
[M]-	186.12615	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe