CID 547704

13752-97-1

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

COCCOCCOCC=C

InChI

InChI=1S/C8H16O3/c1-3-4-10-7-8-11-6-5-9-2/h3H,1,4-8H2,2H3

InChIKey

YTTILRPAYBZIKQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 160.10994 Da
Monoisotopic Mass: 0.4
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]+	161.117216	135.2
[M+Na]+	183.099158	141.8
[M-H]-	159.102664	135.1
[M+NH4]+	178.143763	156.1
[M+K]+	199.073098	141.9
[M+H-H2O]+	143.107200	130.1
[M+HCOO]-	205.108141	159.3
[M+CH3COO]-	219.123791	178.3
[M+Na-2H]-	181.084606	141.3
[M]+	160.10939142	141.0
[M]-	160.11048858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe